SCHEMBL3570249

SCHEMBL3570249

CCS(=O)(=O)c1ccc(SSc2ccc(S(=O)(=O)CC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.56
GAA P10253 1/20 0.56
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
ALDH1A1 P00352 6/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DNMT1 P26358 1/20 0.39
PLCG1 P19174 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 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
SCHEMBL10455034 0.84 PSIP1 (0.74) PSIP1GAACA2ALDH1A1CYP3A4
SCHEMBL19013847 0.84 PSIP1 (0.54) PSIP1GAAALDH1A1KMT2AMEN1
SCHEMBL86088 0.75 ALDH1A1 (0.67) PSIP1GAACA2CA12CA1
SCHEMBL942878 0.75 ENPP2 (0.54) DNMT1
SCHEMBL2642650 0.75 PSIP1 (0.61) PSIP1GAACA2ALDH1A1CYP3A4
SCHEMBL23351954 0.75 PSIP1 (0.61) PSIP1GAAALDH1A1CYP3A4CYP2C9
SCHEMBL23642266 0.74 CA2 (0.45) PSIP1GAACA2CA12CA1
SCHEMBL9908320 0.73 PSIP1 (0.68) PSIP1GAACA2ALDH1A1KMT2A
SCHEMBL1657371 0.73 CA2 (0.59) PSIP1GAACA2CA12CA1
SCHEMBL23043593 0.73 PSIP1 (0.58) PSIP1GAACA2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010034-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2010-01-14 US disclosed
EP-2094266-A1 CRTH2 ANTAGONISTS Argenta Discovery Limited (GB) 2009-09-02 EP disclosed
US-20080306109-A1 Indolizine Derivatives as Ligands of the Crth2 Receptor ARGENTA DISCOVERY LIMITED (GB) 2008-12-11 US disclosed
WO-2008074966-A1 CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2008-06-26 WO disclosed
EP-1931663-A1 IMDOLIZINE DERIVATIVES AS LIGANDS OF THE CRTH2 RECEPTOR Argenta Discovery Limited (GB) 2008-06-18 EP disclosed
WO-2007031747-A1 IMDOLIZINE DERIVATIVES AS LIGANDS OF THE CRTH2 RECEPTOR ARGENTA DISCOVERY LIMITED (GB) 2007-03-22 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-20080306109-A1 Indolizine Derivatives as Ligands of the Crth2 Receptor HRH4, HRH2, HRH3 PSIP1 2893/4885GAA 4830/4885CA2 1080/4885
US-20100010034-A1 CRTH2 ANTAGONISTS HRH2, MDH2, HRH1 PSIP1 2911/4885GAA 2607/4885CA2 360/4885

“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.