SCHEMBL126001

SCHEMBL126001

CCOC(=O)C(C)(C)CC(=O)CSC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
PKM P14618 3/20 0.33
MMP8 P22894 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.32
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
PMP22 Q01453 1/20 0.32
PPARA Q07869 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL3468249 0.83 CYP4F2 (0.44) CYP4F2CYP4A11PKMMMP8METAP2
SCHEMBL8490035 0.81 DGAT1 (0.32)
SCHEMBL28724880 0.80 CYP4F2 (0.38) CYP4F2CYP4A11PKMMMP8METAP2
SCHEMBL1255383 0.80 TSHR (0.32) CYP3A4TSHR
SCHEMBL23270827 0.79 CYP4F2 (0.40) CYP4F2CYP4A11PKMMMP8MAPT
SCHEMBL14037348 0.78 CYP4F2 (0.36) CYP4F2CYP4A11MMP8MAPTALDH1A1
SCHEMBL12121809 0.77 CYP4F2 (0.47) CYP4F2CYP4A11PKMMMP8KDM4E
SCHEMBL1253667 0.76 CYP4F2 (0.46) CYP4F2CYP4A11PKMMMP8KDM4E
SCHEMBL9305198 0.76 CYP4F2 (0.46) CYP4F2CYP4A11PKMMMP8KDM4E
SCHEMBL13623137 0.75

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 108 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
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
WO-2007056220-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-18 WO disclosed
WO-2007056220-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-18 WO disclosed
WO-2007056228-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (GB) 2007-05-18 WO disclosed
US-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
US-20070105866-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-05-10 US 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 (5 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 CYP4F2 544/4885CYP4A11 673/4885PKM 2875/4885
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SHH, GLI1, SMO CYP4F2 1000/4885CYP4A11 553/4885PKM 2133/4885
US-20240043423-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SHH, GLI1, SMO CYP4F2 1048/4885CYP4A11 469/4885PKM 2183/4885
US-20200147064-A1 Reduction of Pro-Inflammatory HDL Using a Leukotriene Inhibitor LTB4R, LTC4S, LTB4R2 CYP4F2 1177/4885CYP4A11 384/4885PKM 3520/4885
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SHH, GLI1, SMO CYP4F2 1000/4885CYP4A11 553/4885PKM 2133/4885

“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.