SCHEMBL506130

SCHEMBL506130

O=C(O)c1ccccc1[S+]([O-])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
ALOX15 P16050 1/20 0.50
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA4 P22748 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HMGB1 P09429 2/20 0.43
HPGD P15428 2/20 0.43
NAPRT Q6XQN6 2/20 0.43
CA6 P23280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MAPT P10636 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
POLB P06746 2/20 0.41
AKR1C3 P42330 1/20 0.41
NR4A1 P22736 1/20 0.39

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
SCHEMBL30828909 0.90 ALDH1A1 (0.56) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL2573164 0.90 ALDH1A1 (0.56) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL9133437 0.88 ALDH1A1 (0.54) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL9134133 0.88 ALDH1A1 (0.54) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL9132558 0.88 ALDH1A1 (0.54) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL9132688 0.88 ALDH1A1 (0.54) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL1743540 0.85 BCAT2 (0.44) ALDH1A1ALOX15KDM4EHPGDMAPT
SCHEMBL2073567 0.84 KMT2A (0.42) ALDH1A1ALOX15KDM4EHPGDSMN1; SMN2
SCHEMBL28305847 0.83 AKR1C3 (0.50) ALDH1A1KDM4ESMN1; SMN2MAPTAKR1C3
Tetramethylammonium Ion SCHEMBL9132602 0.82 ALDH1A1 (0.48) ALDH1A1ALOX15CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023102162-A1 TGONOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
CN-105820560-B Molded article comprising polyamide resin composition 旭化成株式会社 2021-12-03 CN disclosed
EP-2824069-B1 SURFACE-TREATED CARBON NANOTUBE AND RESIN COMPOSITION ASAHI CHEMICAL IND (JP) 2021-09-22 EP disclosed
US-10479853-B2 Surface-treated carbon nanotube and resin composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2019-11-19 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
EP-2824069-A1 SURFACE-TREATED CARBON NANOTUBE AND RESIN COMPOSITION Asahi Kasei Chemicals Corporation (JP) 2015-01-14 EP disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO disclosed
US-6291442-B1 Pharmacological modulators of voltage-gated potassium ion channels THE GENERAL HOSPITAL CORPORATION 2001-09-18 US disclosed
EP-0513030-B1 NEW CIS-PLATINUM COMPLEXES WITH CHELATING AMINES AND SULPHINYL CARBOXYLATES BOEHRINGER MANNHEIM ITALIA (IT) 1994-01-26 EP disclosed
US-5275827-A Cis-platinum complexes with chelating amines and sulphinyl carboxylates BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1994-01-04 US disclosed
EP-0513030-A1 NEW CIS-PLATINUM COMPLEXES WITH CHELATING AMINES AND SULPHINYL CARBOXYLATES. BOEHRINGER MANNHEIM ITALIA (IT) 1992-11-19 EP disclosed
US-5157097-A Reacting aromatic tricarboxylic acids, diisocyanates, diamines and end-blocking compounds; high glass transition temperature, heat resistant, melt moldable MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-10-20 US disclosed
EP-0472421-A2 Polyamide-imide resins and process of producing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-02-26 EP disclosed
WO-1991011450-A1 NEW CIS-PLATINUM COMPLEXES WITH CHELATING AMINES AND SULPHINYL CARBOXYLATES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1991-08-08 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-10479853-B2 Surface-treated carbon nanotube and resin composition ACTN1, CD63, ACTN4 ALDH1A1 3198/4885ALOX15 3500/4885CA12 1047/4885
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ALDH1A1 969/4885ALOX15 211/4885CA12 4790/4885
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD ALDH1A1 95/4885ALOX15 2287/4885CA12 2228/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ALDH1A1 969/4885ALOX15 211/4885CA12 4790/4885

“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.