SCHEMBL2646286

SCHEMBL2646286

CC(C)S(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
RAPGEF4 Q8WZA2 1/20 0.42
F2 P00734 3/20 0.41
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
SIGMAR1 Q99720 1/20 0.37
GRIA4 P48058 2/20 0.37
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL10060475 0.87 ALDH1A1 (0.40) CA1CA2MMP1MMP2MMP13
SCHEMBL10060466 0.80 CA12 (0.46) CA1CA2MMP1MMP2MMP9
SCHEMBL11761525 0.78 CA1 (0.46) CA1CA2MMP1MMP2MMP9
SCHEMBL14520771 0.78 ENPP2 (0.52)
SCHEMBL178444 0.78 GAA (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL2657775 0.78 ALDH1A1 (0.36) CA1CA2MMP1MMP2MMP13
SCHEMBL24899768 0.77 CA1 (0.44) CA1CA2MMP1MMP2MMP9
SCHEMBL2642589 0.76 ALDH1A1 (0.36) CA1CA2MMP1MMP2MMP13
SCHEMBL2642848 0.76 L3MBTL1 (0.37) CA1CA2CA9ALDH1A1
SCHEMBL152957 0.76 MMP2 (0.53) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
WO-2023284869-A1 SULFUR/PHOSPHORUS-CONTAINING ARYL COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 WO disclosed
EP-4001269-A1 BENZOISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER Amgen Inc. (US) 2022-05-25 EP disclosed
US-20190106460-A1 BINDING INHIBITORS OF THE BETA. TRANSDUCIN REPEAT-CONTAINING PROTEIN BRADLEY MARK (GB) 2019-04-11 US disclosed
US-20140315784-A1 Binding Inhibitors of the Beta. Transducin Repeat-Containing Protein ITI SCOTLAND LIMITED (GB) 2014-10-23 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
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed
US-20060264424-A1 Arylsulfonamidobenzylic compounds TULARIK INC (US) 2006-11-23 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP disclosed
EP-1660459-A2 ARYLSULFONAMIDOBENZYLIC COMPOUNDS Amgen inc. (US) 2006-05-31 EP disclosed
WO-2005016277-A2 ARYLSULFONAMIDOBENZYLIC COMPOUNDS AMGEN INC. (US) 2005-02-24 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 (4 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-20060264424-A1 Arylsulfonamidobenzylic compounds APOB, SREBF1, FABP4 CA1 4840/4885CA2 4715/4885MMP1 2501/4885
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 CA1 3408/4885CA2 893/4885MMP1 272/4885
US-20190106460-A1 BINDING INHIBITORS OF THE BETA. TRANSDUCIN REPEAT-CONTAINING PROTEIN TARDBP, DDB1, EPS15 CA1 4830/4885CA2 4702/4885MMP1 4741/4885
US-20140315784-A1 Binding Inhibitors of the Beta. Transducin Repeat-Containing Protein TARDBP, EPS15, TTC14 CA1 4811/4885CA2 4703/4885MMP1 4714/4885

“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.