SCHEMBL1369588

SCHEMBL1369588

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.42
PTGDR2 Q9Y5Y4 5/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
AKR1B1 P15121 1/20 0.40
PTGDR Q13258 1/20 0.40
PNMT P11086 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.38
ESR1 P03372 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.37
GRK2 P25098 1/20 0.37
DNMT1 P26358 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
MEN1 O00255 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
SCHEMBL1368328 0.87 GAA (0.44) ALDH1A1HTTHPGDPTGDR2CYP2C9
SCHEMBL1371155 0.84 CA2 (0.53) ALDH1A1HTTHPGDPTGDR2CYP2C9
SCHEMBL1370819 0.81 CA2 (0.56) ALDH1A1HTTHPGDPTGDR2CYP2C9
SCHEMBL1368173 0.81 PTGDR2 (0.42) ALDH1A1PTGDR2CYP2C9CYP2C19CYP3A4
SCHEMBL1370083 0.81 PTGDR2 (0.43) ALDH1A1PTGDR2CYP2C9CYP2C19CYP3A4
SCHEMBL19748278 0.80 ALDH1A1 (0.74) ALDH1A1HTTHPGDLMNATSHR
SCHEMBL19748184 0.79 ALDH1A1 (0.44) ALDH1A1HTTHPGDPTGDR2CYP2C9
SCHEMBL1369454 0.79 PTGDR2 (0.46) ALDH1A1HTTHPGDPTGDR2LMNA
SCHEMBL19748329 0.79 CA2 (0.60) ALDH1A1HTTHPGDCYP2C9CYP2C19
SCHEMBL29096488 0.78 KMT2A (0.57) ALDH1A1HTTHPGDLMNATSHR

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 ALDH1A1 54/4885HTT 4078/4885HPGD 266/4885

“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.