SCHEMBL1368050

SCHEMBL1368050

COCCN(C)S(=O)(=O)c1ccc(C)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.54
LMNA P02545 4/20 0.49
THRB P10828 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
VCAM1 P19320 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
GSTO1 P78417 1/20 0.39
CDK2 P24941 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
PKM P14618 1/20 0.38
ESR1 P03372 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL1368239 0.84 ESR1 (0.49) LMNAALDH1A1MAPTGAAVCAM1
SCHEMBL1371356 0.84 PTGDR2 (0.44) LMNATHRBALDH1A1PTGDR2MAPT
SCHEMBL1369533 0.81 VCAM1 (0.47) LMNAALDH1A1PTGDR2MAPTGAA
SCHEMBL1368392 0.81 MAPT (0.45) LMNAALDH1A1MAPTGAAVCAM1
SCHEMBL3917930 0.80 SIGMAR1 (0.55) CASP3LMNATHRBALDH1A1MAPT
SCHEMBL10090152 0.79 CASP3 (0.58) CASP3LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL1368153 0.77 PTGDR2 (0.45) LMNAALDH1A1PTGDR2MAPTGAA
SCHEMBL1369561 0.76 MAPT (0.57) LMNATHRBALDH1A1MAPTGAA
SCHEMBL31587891 0.75 MAPT (0.47) CASP3THRBALDH1A1PTGDR2MAPT
SCHEMBL20323782 0.75 CASP3 (0.51) CASP3LMNAALDH1A1PTGDR2VCAM1

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-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
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

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 CASP3 3450/4885LMNA 4243/4885THRB 1804/4885

“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.