SCHEMBL1370083

SCHEMBL1370083

CCCS(=O)(=O)c1ccc(Cl)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ABL1 P00519 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
PNMT P11086 1/20 0.39
CYP1A2 P05177 1/20 0.39
CNR2 P34972 1/20 0.39
THRB P10828 1/20 0.39
VCAM1 P19320 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
AKR1B1 P15121 1/20 0.37
PTGDR Q13258 1/20 0.37

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
SCHEMBL1369588 0.81 ALDH1A1 (0.46) PTGDR2ALDH1A1CYP2C9CYP2C19PNMT
SCHEMBL11843973 0.80 CA1 (0.39) ALDH1A1MAPTCNR2VCAM1
SCHEMBL1368173 0.79 PTGDR2 (0.42) PTGDR2L3MBTL1ALDH1A1CYP2C9CYP2C19
SCHEMBL29096488 0.77 KMT2A (0.57) ALDH1A1MAPT
SCHEMBL3591889 0.76 LMNA (0.55) ALDH1A1MAPTCNR2
SCHEMBL3923045 0.76 LMNA (0.64) PTGDR2L3MBTL1ALDH1A1THRB
SCHEMBL5153721 0.75 MAPK1 (0.46) ALDH1A1MAPTCNR2VCAM1CYP3A4
SCHEMBL11006421 0.74 CA2 (0.45) L3MBTL1CYP2C9PNMTTHRB
SCHEMBL31454270 0.74 L3MBTL1 (0.52) L3MBTL1ALDH1A1MAPTVCAM1
SCHEMBL15960059 0.74 THRB (0.51) ALDH1A1CYP2C9CYP2C19PNMTTHRB

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 PTGDR2 51/4885L3MBTL1 4821/4885ALDH1A1 54/4885

“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.