SCHEMBL2898541

SCHEMBL2898541

Clc1ccc([I+]c2ccc(Cl)cc2)cc1.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MMP2 P08253 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
FLT1 P17948 1/20 0.40

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
SCHEMBL454457 0.86 HTR6 (0.44) ALDH1A1MMP2TDP1CA12CA1
SCHEMBL2900952 0.84 BCHE (0.45) ALDH1A1CYP3A4MAPK1CA12CA1
Toliodium SCHEMBL2895872 0.81 MMP2 (0.45) ALDH1A1MMP2TDP1CYP3A4MAPK1
SCHEMBL11330347 0.79 ALDH1A1 (0.57) ALDH1A1MMP2TDP1CA12CA1
SCHEMBL6913638 0.79 ALDH1A1 (0.65) ALDH1A1MMP2CYP3A4MAPK1CA12
SCHEMBL6916781 0.79 HTR6 (0.55) ALDH1A1MMP2TDP1CA12CA1
Trifluoromethanesulfonic Acid SCHEMBL8735181 0.79 GPR3 (0.42) ALDH1A1MMP2TDP1CYP3A4MAPK1
SCHEMBL10492043 0.78 MMP2 (0.45) ALDH1A1MMP2TDP1CYP3A4MAPK1
SCHEMBL547560 0.77 HSD11B1 (0.44) ALDH1A1KMT2AMEN1HSD11B1
SCHEMBL6908824 0.77 ALDH1A1 (0.62) ALDH1A1MMP2CYP3A4MAPK1CA12

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8771923-B2 Radiation-sensitive composition JSR CORPORATION (JP) 2014-07-08 US disclosed
US-20130108962-A1 RADIATION-SENSITIVE COMPOSITION JSR CORPORATION (JP) 2013-05-02 US disclosed
US-8361691-B2 Radiation-sensitive composition and process for producing low-molecular compound for use therein JSR CORPORATION (JP) 2013-01-29 US disclosed
EP-1253470-B1 Radiation-sensitive resin composition JSR CORP (JP) 2010-06-16 EP disclosed
EP-1238972-B1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORP (JP) 2009-12-16 EP disclosed
EP-1270553-B1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR CORP (JP) 2009-11-18 EP disclosed
US-20090280433-A1 RADIATION-SENSITIVE COMPOSITION AND PROCESS FOR PRODUCING LOW-MOLECULAR COMPOUND FOR USE THEREIN JSR CORPORATION (JP) 2009-11-12 US disclosed
EP-2060949-A1 RADIATION-SENSITIVE COMPOSITION AND PROCESS FOR PRODUCING LOW-MOLECULAR COMPOUND FOR USE THEREIN JSR Corporation (JP) 2009-05-20 EP disclosed
EP-1640804-B1 Positive-tone radiation-sensitive resin composition JSR CORP (JP) 2008-11-19 EP disclosed
US-7335457-B2 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2008-02-26 US disclosed
EP-1343048-A2 Anthracene derivative and radiation-sensitive resin composition JSR Corporation (JP) 2003-09-10 EP disclosed
US-20030113658-A1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR CORPORATION (JP) 2003-06-19 US disclosed
US-20030113660-A1 Sulfonyloxime compound, and radiation sensitive acid generator, positive type radiation sensitive resin composition and negative type radiation sensitive resin composition using same JSR CORPORATION (JP) 2003-06-19 US disclosed
US-20030022095-A1 Negative type radiation sensitive resin composition JSR CORPORATION (JP) 2003-01-30 US disclosed
EP-1270553-A2 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR Corporation (JP) 2003-01-02 EP disclosed
US-20020192593-A1 Used as chemically amplified resist, exhibits high sensitivity, resolution, radiation transmittance, and surface smoothness, and is free from the problem of partial insolublization during overexposure JSR CORPORATION (JP) 2002-12-19 US disclosed
US-20020172885-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORPORATION (JP) 2002-11-21 US disclosed
EP-1253470-A2 Radiation-sensitive resin composition JSR Corporation (JP) 2002-10-30 EP disclosed
EP-1238972-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR Corporation (JP) 2002-09-11 EP disclosed
EP-1231205-A1 VINYLPHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PRODUCTION OF THE DERIVATIVES, POLYMERS THEREOF AND RADIOSENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2002-08-14 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 (3 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-20090280433-A1 RADIATION-SENSITIVE COMPOSITION AND PROCESS FOR PRODUCING LOW-MOLECULAR COMPOUND FOR USE THEREIN ACP1, PLG, ALG1 ALDH1A1 3007/4885MMP2 141/4885TDP1 1620/4885
US-20020172885-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition ARID2, RAD1, RAD51 ALDH1A1 1654/4885MMP2 4260/4885TDP1 958/4885
US-20030113658-A1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition ASIC1, PFAS, RARA ALDH1A1 1216/4885MMP2 4206/4885TDP1 2888/4885

“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.