SCHEMBL2646288

SCHEMBL2646288

CCCS(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
CA2 P00918 4/20 0.44
CA1 P00915 2/20 0.44
MMP13 P45452 3/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
GAA P10253 2/20 0.42
MMP8 P22894 2/20 0.42
MMP1 P03956 1/20 0.42
PSIP1 O75475 2/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
MEN1 O00255 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
SCHEMBL2308236 0.84 PSIP1 (0.58) ALDH1A1CYP3A4CYP2C9CYP2C19SIGMAR1
SCHEMBL92881 0.80 ALDH1A1 (0.72) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL1368829 0.78 KMT2A (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL1368369 0.78 L3MBTL1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL2646220 0.78 CA2 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL10619867 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL2148722 0.78 GAA (0.69) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL198253 0.78 PLCG1 (0.61) ALDH1A1CYP3A4CYP2C9CYP2C19SIGMAR1
SCHEMBL7029959 0.78 CA2 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19SIGMAR1
SCHEMBL7033001 0.78 CA2 (0.64) ALDH1A1CYP3A4CYP2C9CYP2C19CA2

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-8853213-B2 Bicyclic compound for modulating G protein-coupled receptors HANMI PHARM. CO., LTD (KR) 2014-10-07 US disclosed
US-8853213-B2 Bicyclic compound for modulating G protein-coupled receptors HANMI PHARM. CO., LTD (KR) 2014-10-07 US disclosed
US-20130274268-A1 NEW BICYCLIC COMPOUND FOR MODULATING G PROTEIN-COUPLED RECEPTORS HANMI PHARM. CO., LTD (KR) 2013-10-17 US disclosed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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-20130274268-A1 NEW BICYCLIC COMPOUND FOR MODULATING G PROTEIN-COUPLED RECEPTORS GPR119, GPR65, GPR3 ALDH1A1 3288/4885CYP3A4 3885/4885CYP2C9 3684/4885
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 ALDH1A1 1188/4885CYP3A4 1701/4885CYP2C9 3244/4885

“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.