Sugi Predict

Sugi Predict / Compounds / SCHEMBL691733

SCHEMBL691733

SCHEMBL691733

COc1ccc(S(N)(=O)=O)c(C)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ PKM P14618 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.49
▸ CA12 O43570 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ CA1 P00915 1/20 0.49
▸ TSHR P16473 2/20 0.48
▸ USP2 O75604 1/20 0.48

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
SCHEMBL4608472 0.89 PKM (0.46) ALDH1A1PKMNPSR1MEN1CYP1A2
SCHEMBL20549321 0.89 ALDH1A1 (0.49) ALDH1A1PKMNPSR1MEN1CYP1A2
Hydrochloric Acid SCHEMBL4609743 0.87 PKM (0.45) ALDH1A1PKMNPSR1MEN1CYP1A2
SCHEMBL23043571 0.82 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19CA12CA2
SCHEMBL11153056 0.82 CA2 (0.50) ALDH1A1PKMCYP3A4CYP2C9CA12
SCHEMBL4609865 0.80 PKM (0.43) ALDH1A1PKMNPSR1MEN1CYP1A2
SCHEMBL3746673 0.80 ALDH1A1 (0.56) ALDH1A1PKMNPSR1MEN1CYP1A2
SCHEMBL4207227 0.80 CA2 (0.49) ALDH1A1PKMNPSR1KMT2ASMN1; SMN2
SCHEMBL4781257 0.79 PKM (0.42) ALDH1A1PKMMEN1CYP1A2GLA
SCHEMBL3819217 0.78 PKM (0.44) ALDH1A1PKMNPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694041-A1 A PROCESS AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS CONTAINING N-ALPHA-METHYLARGININE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-31 — — EP claimed
WO-2023220737-A2 OLIGONUCLEOTIDES HAVING A SYNTHETIC BACKBONE AND SYNTHESIS THEREOF ADARX PHARMACEUTICALS, INC. (US) 2023-11-16 — — WO disclosed
WO-2023196342-A1 α4β1/7 INTEGRIN LIGAND CONJUGATED COMPOUNDS AND USES THEREOF ADARX PHARMACEUTICALS, INC. (US) 2023-10-12 — — WO disclosed
WO-2023146989-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023096904-A2 C-16 MODIFIED TRIOXACARCINS, ANTIBODY DRUG CONJUGATES, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 — — WO disclosed
EP-4164752-A1 INHIBITORS OF TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2023-04-19 — — EP disclosed
EP-4161651-A1 QUINAZOLINE-DERIVED HCK INHIBITORS FOR USE IN THE TREATMENT OF MYD88 MUTATED DISEASES Dana-Farber Cancer Institute, Inc. (US) 2023-04-12 — — EP disclosed
EP-4081202-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2022-11-02 — — EP disclosed
EP-4027993-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF The Broad Institute Inc. (US) 2022-07-20 — — EP disclosed
WO-2022150768-A1 YAP-TEAD INHIBITORS AND USES THEREOF CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-07-14 — — WO disclosed
EP-2852678-A1 TRAPPING REAGENTS FOR REACTIVE METABOLITES SCREENING Biogen Idec MA Inc. (US) 2015-04-01 — — EP disclosed
WO-2015031725-A1 TRANSITION METAL-CATALYZED IMIDATION OF ARENES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-05 — — WO disclosed
WO-2014015235-A2 3,5,N-TRIHYDROXY-ALKANAMIDE AND DERIVATIVES: METHOD FOR MAKING SAME AND USE THEREOF ACADEMIA SINICA (TW) 2014-01-23 — — WO disclosed
WO-2013177293-A1 TRAPPING REAGENTS FOR REACTIVE METABOLITES SCREENING BIOGEN IDEC MA INC. (US) 2013-11-28 — — WO disclosed
US-20130004517-A1 DISC-1 PATHWAY ACTIVATORS IN THE CONTROL OF NEUROGENESIS THE GENERAL HOSPITAL CORPORATION D/B/A (US) 2013-01-03 — — US disclosed
WO-2012167021-A2 HYPERFORIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-12-06 — — WO disclosed
EP-2421882-A2 ANGIOGENESIS INHIBITORS President and Fellows of Harvard College (US) 2012-02-29 — — EP disclosed
EP-2303897-A1 HIGH-VALENT PALLADIUM FLUORIDE COMPLEXES AND USES THEREOF President and Fellows of Harvard College (US) 2011-04-06 — — EP disclosed
WO-2010123545-A2 ANGIOGENESIS INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-10-28 — — WO disclosed
WO-2009149347-A1 HIGH-VALENT PALLADIUM FLUORIDE COMPLEXES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-10 — — 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 (1 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-20130004517-A1 DISC-1 PATHWAY ACTIVATORS IN THE CONTROL OF NEUROGENESIS GSK3A, GSK3B, DCX ALDH1A1 2302/4885PKM 2570/4885NPSR1 3594/4885

“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.