SCHEMBL3304041

SCHEMBL3304041

CCOC(=O)c1ccc(C)cc1S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
CA7 P43166 2/20 0.53
CA14 Q9ULX7 2/20 0.53
KDM4E B2RXH2 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL2453339 0.86 TSHR (0.53) TSHRCA12CA1CA2CA9
SCHEMBL301748 0.83 TSHR (0.64) TSHRCA12CA1CA2CA9
SCHEMBL3304476 0.83 MAPK1 (0.55) TSHRCA12CA1CA2CA9
SCHEMBL1107151 0.81 MEN1 (0.60) TSHRCA12CA1CA2CA9
SCHEMBL29668381 0.81 MEN1 (0.60) TSHRCA12CA1CA2CA9
SCHEMBL804379 0.81 NR4A2 (0.50) TSHRCA12CA1CA2CA9
SCHEMBL28195998 0.80 MRGPRX4 (0.48) TSHRCA12CA1CA2CA9
SCHEMBL3309126 0.80 CA12 (0.74) TSHRCA12CA1CA2CA9
SCHEMBL18677456 0.80 TSHR (0.55) TSHRCA12CA1CA2CA9
Toluene SCHEMBL11715453 0.79 TSHR (0.50) TSHRCA12CA1CA2CA9

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS MARTINEZ-PEREZ JOSE ANTONIO 2010-04-15 US disclosed
EP-2166003-A1 Excitatory amino acid receptor antagonists Eli Lilly & Company (US) 2010-03-24 EP disclosed
US-7601738-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7205313-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed
US-20060100237-A1 Excitatory amino acid receptor antagonists ARNOLD MACKLIN B 2006-05-11 US disclosed
EP-0784052-B1 Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation AVENTIS HOLDINGS INC (US) 2004-09-01 EP disclosed
US-20040138254-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY 2004-07-15 US disclosed
EP-1368032-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2003024453-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-03-27 WO disclosed
EP-0784052-A1 Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1997-07-16 EP disclosed
US-4920131-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4918081-A Quinoline derivatives and use thereof as antagonists of leukotriene d4 RORER PHARMACEUTICAL CORP. (US) 1990-04-17 US disclosed
WO-1989012628-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-28 WO disclosed
WO-1989012629-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-28 WO disclosed
EP-0348155-A1 Quinoline derivatives as antagonists of leukotriene D4, compositions containing the same and processes for their preparation RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1989-12-27 EP 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 (3 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-20040138254-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 TSHR 642/4885CA12 3331/4885CA1 874/4885
US-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, GRIN1 TSHR 642/4885CA12 3331/4885CA1 874/4885
US-20060100237-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 TSHR 642/4885CA12 3331/4885CA1 874/4885

“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.