SCHEMBL9264129

SCHEMBL9264129

COC(=O)c1ccc(C(F)(F)F)nc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
TUBA1C Q9BQE3 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54
TUBB2B Q9BVA1 1/20 0.54
TUBB1 Q9H4B7 1/20 0.54
CFTR P13569 2/20 0.46
SDHB P21912 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL3878179 0.85 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4195184 0.83 LMNA (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10667889 0.83 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28944494 0.83 KDM4E (0.48) CA12CA1CA2CA7CA9
SCHEMBL29827383 0.83 KDM4E (0.48) CA12CA1CA2CA7CA9
SCHEMBL124080 0.82 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30480593 0.82 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4476468 0.82 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL125591 0.82 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2435522 0.82 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835726-B Compound for inhibiting tumor cell stem property and application thereof 上海诺精生物科技有限公司 2024-01-26 CN disclosed
CN-114835726-A Compound for inhibiting dryness of tumor cells and application thereof 上海诺精生物科技有限公司 2022-08-02 CN disclosed
US-8293900-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP (US) 2012-10-23 US disclosed
US-8293900-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP (US) 2012-10-23 US disclosed
US-20090170863-A1 Acylated Spiropiperidine Derivatives as Melanocortin-4 Receptor Modulators MERCK & CO., INC. (US) 2009-07-02 US disclosed
US-20090170863-A1 Acylated Spiropiperidine Derivatives as Melanocortin-4 Receptor Modulators MERCK & CO., INC. (US) 2009-07-02 US disclosed
WO-2007041052-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-04-12 WO disclosed
US-5440043-A To prepare chemcial intermediates for sulfonylurea herbicides; reacting enones with acetonitrile derivatives under basic conditions, cyclizing under acidic conditions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-08-08 US disclosed
US-5332823-A Herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-26 US disclosed
US-5235060-A CERTAIN THREE COMPONENT IONIC SUBSTITUTED PYRIDINE COMPOUNDS AS INTERMEDIATES FOR PREPARATION AS HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-10 US disclosed
EP-0526732-A2 Processes for the preparation of heterocyclic thiocarbamates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-10 EP disclosed
EP-0522392-A1 Substituted pyridines and a process for their preparation E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-13 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-20090170863-A1 Acylated Spiropiperidine Derivatives as Melanocortin-4 Receptor Modulators MC4R, MC5R, MC3R TUBB4A 2291/4885TUBB 4054/4885TUBA3C 3620/4885

“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.