SCHEMBL131589

SCHEMBL131589

[CH2]c1csc(C(F)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 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
SCHEMBL128008 0.79 NR1H2 (0.31)
SCHEMBL13564628 0.73 IDH1 (0.36) IDH1
SCHEMBL6137289 0.73 IDH1 (0.36) IDH1
SCHEMBL127884 0.73
SCHEMBL131590 0.71 SMN1; SMN2 (0.44) IDH1
SCHEMBL16346832 0.71 IDH1 (0.35) IDH1
SCHEMBL13564631 0.71 IDH1 (0.35) IDH1
SCHEMBL5630073 0.71 IDH1 (0.40) IDH1
SCHEMBL21212576 0.71 IDH1 (0.35) IDH1
SCHEMBL18923163 0.71 ALDH1A1 (0.38) IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US claimed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US claimed
CN-116134016-A Tricyclic heterocycles 默克专利股份公司 2023-05-16 CN claimed
CN-115515959-A Tricyclic heterocycles as TEAD binders 默克专利股份公司 2022-12-23 CN claimed
CN-117616028-A 2, 8-dihydropyrazolo [3,4-B ] indole derivatives for the treatment of cancer 默克专利股份公司 2024-02-27 CN disclosed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
CN-116134018-A 2-oxoimidazolidine-4-carboxamide as NAV1.8 inhibitor 默沙东有限责任公司 2023-05-16 CN disclosed
CN-116134016-A Tricyclic heterocycles 默克专利股份公司 2023-05-16 CN disclosed
CN-116056697-A 2-oxo-oxazolidine-5-carboxamides as NAV1.8 inhibitors 默沙东有限责任公司 2023-05-02 CN disclosed
CN-115515959-A Tricyclic heterocycles as TEAD binders 默克专利股份公司 2022-12-23 CN disclosed
CN-108368068-A Amino Zole derivatives 帝人制药株式会社 2018-08-03 CN disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-2344486-B1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THEIR USE AS FAAH INHIBITORS SANOFI SA (FR) 2013-03-27 EP disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
EP-2344486-A2 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2011-07-20 EP disclosed
WO-2010010288-A2 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-01-28 WO disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
US-5395845-A Insecticides ROUSSEL-UCLAF (FR) 1995-03-07 US 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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 IDH1 998/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP IDH1 986/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 IDH1 123/4885

“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.