SCHEMBL3280391

SCHEMBL3280391

Cc1ccc(S(=O)(=O)OCC2CCC(COS(=O)(=O)c3ccc(C)cc3)O2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CYP2D6 P10635 4/20 0.45
CYP3A4 P08684 4/20 0.45
TSHR P16473 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2C9 P11712 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
STAT3 P40763 1/20 0.40
GAA P10253 1/20 0.39
SLC12A2 P55011 1/20 0.39
SLC12A5 Q9H2X9 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL60510 1.00 ALDH1A1 (0.45) ALDH1A1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL17934312 1.00 ALDH1A1 (0.45) ALDH1A1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL18161021 0.94 ALDH1A1 (0.42) ALDH1A1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL18160998 0.94 ALDH1A1 (0.42) ALDH1A1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL18161020 0.94 ALDH1A1 (0.42) ALDH1A1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL17930122 0.94 ALDH1A1 (0.42) ALDH1A1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL17930121 0.94 ALDH1A1 (0.42) ALDH1A1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL18161002 0.93 CYP2D6 (0.41) ALDH1A1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL16830432 0.93 CYP2D6 (0.41) ALDH1A1CYP2D6CYP3A4TSHRCYP2C19
SCHEMBL16846654 0.93 CYP2D6 (0.41) ALDH1A1CYP2D6CYP3A4TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
US-20090023717-A1 MORPHINE-BRIDGED INDAZOLE DERIVATIVES FEURER ACHIM 2009-01-22 US disclosed
US-20090023717-A1 MORPHINE-BRIDGED INDAZOLE DERIVATIVES FEURER ACHIM 2009-01-22 US disclosed
US-20090023717-A1 MORPHINE-BRIDGED INDAZOLE DERIVATIVES FEURER ACHIM 2009-01-22 US disclosed
US-7427617-B2 Morpoline-bridged indazole derivatives BAYER HEALTHCARE AG (DE) 2008-09-23 US disclosed
US-7427617-B2 Morpoline-bridged indazole derivatives BAYER HEALTHCARE AG (DE) 2008-09-23 US disclosed
US-7427617-B2 Morpoline-bridged indazole derivatives BAYER HEALTHCARE AG (DE) 2008-09-23 US disclosed
EP-1799690-B1 THIAZOLYL-DIHYDRO INDAZOLES BOEHRINGER INGELHEIM INT (DE) 2008-04-16 EP disclosed
WO-2004009589-A1 NOVEL 2,5-DISUBSTITUTED PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-01-29 WO disclosed
WO-2003004503-A1 MORPHOLINE-BRIDGED PYRAZOLOPYRIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-01-16 WO disclosed
EP-0863905-B1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER (US) 2000-11-29 EP disclosed
US-6037355-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS; CARDIOVASCULAR DISORDERS PFIZER INC (US) 2000-03-14 US disclosed
US-5403572-A Macrocyclic polyaza compounds containing 5 or 6 membered rings, process for producing them and pharmaceutical media containing them SCHERING AKTIENGESELLSCHAFT (DE) 1995-04-04 US disclosed
EP-0352218-B1 Macrocyclic polyaza compounds containing rings with 5 or 6 members, methods for their preparation and pharmaceutical compositions containing same SCHERING AG (DE) 1995-02-22 EP disclosed
US-5334371-A Marcocyclic polyaza bicyclo compounds containing 5 or 6 membered rings, and method for MRI SCHERING AKTIENGESELLSCHAFT (DE) 1994-08-02 US disclosed
EP-0352218-A2 Macrocyclic polyaza compounds containing rings with 5 or 6 members, methods for their preparation and pharmaceutical compositions containing same SCHERING AKTIENGESELLSCHAFT (DE) 1990-01-24 EP disclosed
EP-0230274-A2 Derivatives of 7-(azabicycloalkyl)-quinoloncarboxylic acid and -naphthyridoncarboxylic acid BAYER AG (DE) 1987-07-29 EP disclosed
US-3953596-A 8-Oxa-3-azabicyclo(3.2.1)octane analgesic compositions and method of alleviating pain in animals ICI UNITED STATES INC. (US) 1976-04-27 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 (2 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-20090023717-A1 MORPHINE-BRIDGED INDAZOLE DERIVATIVES OPRM1, OPRK1, OPRD1 ALDH1A1 1430/4885CYP2D6 649/4885CYP3A4 258/4885
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES MKI67, CYP11B1, IGF1R ALDH1A1 41/4885CYP2D6 91/4885CYP3A4 163/4885

“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.