SCHEMBL8236993

SCHEMBL8236993

COC(=O)c1cccc(C(Br)C(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
TSHR P16473 1/20 0.47
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
RAB9A P51151 3/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.44
CASR P41180 1/20 0.44
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43

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
SCHEMBL935780 0.85 TSHR (0.52) SLC7A5LOXL2TSHRCYP4F2CYP4A11
SCHEMBL11229041 0.85 TSHR (0.52) SLC7A5LOXL2TSHRCYP4F2CYP4A11
SCHEMBL243660 0.83 TSHR (0.50) SLC7A5LOXL2TSHRCYP4F2CYP4A11
SCHEMBL8068581 0.82 LOXL2 (0.49) SLC7A5LOXL2TSHRCYP4F2CYP4A11
SCHEMBL48564 0.81 ANPEP (0.51) POLBMAPTALDH1A1MEN1CYP1A2
SCHEMBL10609523 0.81 TSHR (0.52) SLC7A5LOXL2TSHRCYP4F2CYP4A11
SCHEMBL307688 0.81 TSHR (0.56) SLC7A5LOXL2TSHRCYP4F2CYP4A11
SCHEMBL84441 0.80 TSHR (0.53) SLC7A5LOXL2TSHRCYP4F2CYP4A11
SCHEMBL4407209 0.80 TSHR (0.53) SLC7A5LOXL2TSHRCYP4F2CYP4A11
SCHEMBL2650423 0.80 TSHR (0.53) SLC7A5LOXL2TSHRCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
WO-2007087427-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO 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-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 SLC7A5 1205/4885LOXL2 580/4885TSHR 1088/4885
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses CXCR1, NLRP3, NLRP1 SLC7A5 1205/4885LOXL2 580/4885TSHR 1088/4885

“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.