SCHEMBL128023

SCHEMBL128023

[CH2]c1cnc(C(F)(F)F)s1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL129439 0.79 MLYCD (0.35)
SCHEMBL18071029 0.73 ALDH1A1 (0.44) ALDH1A1
SCHEMBL31078390 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL25165495 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL13574810 0.71 ALDH1A1 (0.30) ALDH1A1
Lithium Ion SCHEMBL21963191 0.67
SCHEMBL9568936 0.67 ALDH1A1 (0.42) ALDH1A1
SCHEMBL12028940 0.67 CDK2 (0.40) ALDH1A1
SCHEMBL13563819 0.67 EGLN2 (0.31) ALDH1A1
SCHEMBL12620049 0.67 EGLN2 (0.31) ALDH1A1

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
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP claimed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed
CN-116059203-A Autotaxin inhibitors and uses thereof 赛博治疗有限责任公司 2023-05-05 CN disclosed
EP-4026549-A1 AUTOTAXIN INHIBITORS AND USES THEREOF Sabre Therapeutics LLC (US) 2022-07-13 EP disclosed
US-20200215034-A1 AUTOTAXIN INHIBITORS AND USES THEREOF INSOLVENCY SERVICES GROUP, INC. 2020-07-09 US disclosed
US-10632104-B2 Autotaxin inhibitors and uses thereof SABRE THERAPEUTICS LLC (US) 2020-04-28 US disclosed
US-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ATXCO, INC. 2018-06-14 US disclosed
US-20180147185-A1 AUTOTAXIN INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-05-31 US disclosed
EP-3302490-A1 AUTOTAXIN INHIBITORS AND USES THEREOF Pharmakea, Inc. (US) 2018-04-11 EP disclosed
US-9926318-B2 Tetracyclic autotaxin inhibitors PHARMAKEA, INC. (US) 2018-03-27 US disclosed
WO-2016191427-A1 AUTOTAXIN INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2016-12-01 WO disclosed
EP-3071569-A1 TETRACYCLIC AUTOTAXIN INHIBITORS Pharmakea Inc. (US) 2016-09-28 EP disclosed
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS DF 2024 IP ACQUISITION, LLC 2016-09-15 US disclosed
WO-2015077502-A1 TETRACYCLIC AUTOTAXIN INHIBITORS PHARMAKEA, INC. (US) 2015-05-28 WO disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP 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
CN-1081675-A By the new pyrethroid of thiazolic alcohol derivative, its preparation method and as the purposes of agricultural chemicals ROUSSEL UCLAF (FR) 1994-02-09 CN 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 (6 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-20180147185-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, RNASE1 ALDH1A1 4716/4885
US-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA ALDH1A1 4813/4885
US-10632104-B2 Autotaxin inhibitors and uses thereof ENPP2, SERPINB1, RNASE1 ALDH1A1 4716/4885
US-20200215034-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, RNASE1 ALDH1A1 4716/4885
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA ALDH1A1 4813/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 ALDH1A1 580/4885

“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.