SCHEMBL9626440

SCHEMBL9626440

O=C(NCCS)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
POLB P06746 1/20 0.65
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
CA3 P07451 2/20 0.56
CA5A P35218 2/20 0.56
CA5B Q9Y2D0 2/20 0.56
CA2 P00918 2/20 0.56
CA14 Q9ULX7 2/20 0.56
CA12 O43570 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
EPHX1 P07099 1/20 0.52
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
PGK1 P00558 1/20 0.36

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
Dl-Dithiothreitol SCHEMBL8433109 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL12971621 0.86 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL13861685 0.84 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL8424916 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL27889238 0.79 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1252712 0.77 CA3 (0.86) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL67884 0.77 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL733643 0.77 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL865063 0.77 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL10231803 0.77 CA3 (0.86) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114904012-B Active oxygen self-supplementing amphiphilic block copolymer-drug conjugate, preparation method and application thereof 四川大学华西医院 2023-12-15 CN claimed
CN-115074026-A Carbon fiber corona roller for lithium battery aluminum foil 马鞍山欧凯新材料科技有限公司 2022-09-20 CN claimed
CN-114904012-B Active oxygen self-supplementing amphiphilic block copolymer-drug conjugate, preparation method and application thereof 四川大学华西医院 2023-12-15 CN disclosed
WO-2022226252-A1 HYDROPHILIC POLY(THIOKETAL) URETHANE SCAFFOLDS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY (US) 2022-10-27 WO disclosed
CN-115074026-A Carbon fiber corona roller for lithium battery aluminum foil 马鞍山欧凯新材料科技有限公司 2022-09-20 CN disclosed
CN-114904012-A Active oxygen self-complementary amphiphilic block copolymer-drug conjugate, preparation method and application thereof 四川大学华西医院 2022-08-16 CN disclosed
US-20210008220-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYROTAXANES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-01-14 US disclosed
EP-2876166-B1 New compound for sequencing by synthesis ROCHE DIAGNOSTICS GMBH (DE) 2016-12-14 EP disclosed
US-9410197-B2 Compound for sequencing by synthesis ROCHE MOLECULAR SYSTEMS INC. (US) 2016-08-09 US disclosed
EP-2876166-A1 New compound for sequencing by synthesis Roche Diagniostics GmbH (DE) 2015-05-27 EP disclosed
US-20150140561-A1 COMPOUND FOR SEQUENCING BY SYNTHESIS ROCHE DIAGNOSTICS GMBH (DE) 2015-05-21 US disclosed
US-4988716-A Inhibitors of slow reacting substance of anaphylaxis SCHERING CORPORATION (US) 1991-01-29 US disclosed
US-4889873-A Inhibitors of slow reacting substance of anaphylaxis SCHERING CORPORATION (US) 1989-12-26 US disclosed
US-4798842-A Inhibitors of slow reacting substance of anaphylaxis SCHERING CORPORATION (US) 1989-01-17 US disclosed
US-4758594-A Inhibitors of slow reacting substance of anaphylaxis SCHERING CORPORATION (US) 1988-07-19 US disclosed
EP-0123543-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION AND USE AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1988-02-03 EP disclosed
US-4696946-A Topical Treatment of hyperproliferative skin diseases SCHERING CORPORATION (US) 1987-09-29 US disclosed
US-4609744-A 4-oxo-benzopyran carboxylic acids MERCK FROSST CANADA INC. (CA) 1986-09-02 US disclosed
EP-0169033-A2 Inhibitors of slow reacting substance of anaphylaxis SCHERING CORPORATION (US) 1986-01-22 EP disclosed
EP-0123543-A1 Leukotriene antagonists, their production and use and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-10-31 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 (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-20210008220-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYROTAXANES SI, VIP, TMPRSS15 ALDH1A1 2803/4885SMN1; SMN2 3228/4885POLB 2039/4885

“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.