SCHEMBL169604

SCHEMBL169604

CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(OC)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 2/20 0.67
ALOX5AP P20292 17/20 0.64
ALOX5 P09917 10/20 0.61
CYP3A4 P08684 4/20 0.61
CYP2C9 P11712 4/20 0.61
MEN1 O00255 3/20 0.60
USP2 O75604 3/20 0.60
TP53 P04637 3/20 0.60
CYP1A2 P05177 3/20 0.60
POLB P06746 3/20 0.60
MAPT P10636 3/20 0.60
HPGD P15428 3/20 0.60
ALOX15 P16050 3/20 0.60
MAPK1 P28482 3/20 0.60
RECQL P46063 3/20 0.60
BLM P54132 3/20 0.60
KMT2A Q03164 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
HSD17B10 Q99714 3/20 0.60
KDM4E B2RXH2 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30181651 1.00 PTGES2 (0.67) PTGES2ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL12014950 0.94 ALOX5AP (0.58) PTGES2ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL1255386 0.92 PTGES2 (0.56) PTGES2ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL9044184 0.92 PTGES2 (0.78) PTGES2ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL25968196 0.90 PTGES2 (0.67) PTGES2ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL167199 0.89 PTGES2 (0.66) PTGES2ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL1192956 0.89 ALOX5AP (0.81) PTGES2ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL23270814 0.89 ALOX5AP (0.73) PTGES2ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL30181492 0.89 ALOX5AP (0.73) PTGES2ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL30181605 0.89 ALOX5AP (0.79) PTGES2ALOX5APALOX5CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043423-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2024-02-08 US disclosed
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
CN-113329996-B Compounds and methods for treating hedgehog pathway related disorders 博远医药(苏州)有限公司 2023-03-10 CN disclosed
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2021-07-15 US disclosed
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2021-07-15 US disclosed
EP-3810573-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS Suzhou Mednes Pharma Tech Co., Ltd. (CN) 2021-04-28 EP disclosed
US-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor AUTOIMMUNE PHARMA LLC (US) 2020-05-14 US disclosed
WO-2018152405-A1 REDUCTION OF PRO-INFLAMMATORY HDL USING A LEUKOTRIENE INHIBITOR AUTOIMMUNE PHARMA LLC (US) 2018-08-23 WO disclosed
US-8841295-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2014-09-23 US disclosed
US-20090018170-A1 1,3,5-Substituted indole derivatives, e.g., 3-[3-tert-butylthio-1-[4-(6-methoxypyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-indol-2-yl]-2,2-dimethyl-propionic acid; used alone and in combination with other compounds for treating leukotriene-dependent diseases such as respiratory and cardiovascular AMIRA PHARMACEUTICALS, INC. (US) 2009-01-15 US disclosed
EP-1943219-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2008-07-16 EP disclosed
US-20070244128-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-10-18 US disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 US disclosed
WO-2007056021-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-18 WO disclosed
US-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
US-5420282-A Inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1995-05-30 US disclosed
US-5399699-A Lipoxygenase inihibitors, antiallergens, antiinflammatory agents ABBOTT LABORATORIES (US) 1995-03-21 US disclosed
WO-1994012179-A1 INDOLE CARBOXYLATE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-06-09 WO disclosed
US-5288743-A Lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1994-02-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 PTGES2 29/4885ALOX5AP 4/4885ALOX5 1/4885
US-20070244128-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 PTGES2 29/4885ALOX5AP 4/4885ALOX5 1/4885
US-20090018170-A1 1,3,5-Substituted indole derivatives, e.g., 3-[3-tert-butylthio-1-[4-(6-methoxypyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-indol-2-yl]-2,2-dimethyl-propionic acid; used alone and in combination with other compounds for treating leukotriene-dependent diseases such as respiratory and cardiovascular LTC4S, ALOX5, LTA4H PTGES2 19/4885ALOX5AP 6/4885ALOX5 2/4885
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SHH, GLI1, SMO PTGES2 1332/4885ALOX5AP 3783/4885ALOX5 1983/4885
US-20240043423-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SHH, GLI1, SMO PTGES2 1476/4885ALOX5AP 3709/4885ALOX5 1833/4885
US-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor LTB4R, LTC4S, LTB4R2 PTGES2 21/4885ALOX5AP 35/4885ALOX5 7/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 PTGES2 29/4885ALOX5AP 4/4885ALOX5 1/4885
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SHH, GLI1, SMO PTGES2 1332/4885ALOX5AP 3783/4885ALOX5 1983/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.