SCHEMBL1370064

SCHEMBL1370064

Cc1ccc(SC(C)C)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.39
ALDH1A1 P00352 1/20 0.34
S1PR1 P21453 1/20 0.34
HPGD P15428 3/20 0.33
XDH P47989 1/20 0.31
LMNA P02545 2/20 0.31
RAB9A P51151 2/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
ABL1 P00519 1/20 0.31
MTOR P42345 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL10064899 0.80 AR (0.42) ARALDH1A1HPGDXDHLMNA
SCHEMBL3716721 0.78 ALOX15 (0.45) ARALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL10413694 0.78 CA12 (0.38) ARALDH1A1XDHLMNARAB9A
SCHEMBL15067341 0.78 AR (0.40) ARXDHLMNARAB9ASMN1; SMN2
SCHEMBL31568147 0.75 AR (0.54) ARALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL22759298 0.73 AR (0.55) AR
SCHEMBL3720506 0.71 TP53 (0.46) ARALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL1582216 0.70 MAOA (0.48) ARALDH1A1XDHLMNARAB9A
SCHEMBL24138307 0.69 MCL1 (0.43) ARALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL28128180 0.69 ESR2 (0.38) ARALDH1A1LMNATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 EP disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 WO disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 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 (1 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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 AR 743/4885ALDH1A1 54/4885S1PR1 2205/4885

“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.