SCHEMBL307688

SCHEMBL307688

COC(=O)c1cccc(C(Br)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
RAB9A P51151 1/20 0.53
CASR P41180 3/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC7A5 Q01650 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
PPARA Q07869 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
ROCK2 O75116 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 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
SCHEMBL28002457 0.89 TSHR (0.53) TSHRRAB9ACASRPTGS1PTGS2
SCHEMBL305694 0.85 TSHR (0.62) TSHRRAB9APPARAALDH1A1ROCK2
SCHEMBL11229041 0.85 TSHR (0.52) TSHRRAB9ACASRPTGS1PTGS2
SCHEMBL935780 0.85 TSHR (0.52) TSHRRAB9ACASRPTGS1PTGS2
SCHEMBL243660 0.83 TSHR (0.50) TSHRRAB9ACASRPTGS1PTGS2
SCHEMBL3340488 0.82 TSHR (0.58) TSHRRAB9ACASRPTGS1PTGS2
SCHEMBL8068581 0.82 LOXL2 (0.49) TSHRRAB9ACASRPTGS1PTGS2
SCHEMBL10609523 0.81 TSHR (0.52) TSHRRAB9ACASRPTGS1PTGS2
SCHEMBL9679771 0.81 TSHR (0.56) TSHRRAB9ACASRPTGS1PTGS2
SCHEMBL8236993 0.81 SLC7A5 (0.48) TSHRRAB9ACASRPTGS1PTGS2

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
EP-1966166-B1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LTD (GB) 2013-01-23 EP disclosed
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-8022224-B2 1,2,4-triazol-1-yl bisphenyl derivatives for use in the treatment of endocrine-dependent tumors STERIX LIMITED (GB) 2011-09-20 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 US disclosed
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS STERIX LIMITED (GB) 2008-12-25 US disclosed
EP-1966166-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS Sterix Limited (GB) 2008-09-10 EP disclosed
WO-2007068905-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LIMITED (GB) 2007-06-21 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-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS CYP19A1, CYP21A2, CBR1 TSHR 24/4885RAB9A 2155/4885CASR 537/4885
US-20100173963-A1 COMPOUND CBR3, CBR1, OXSR1 TSHR 179/4885RAB9A 821/4885CASR 635/4885

“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.