SCHEMBL17438862

SCHEMBL17438862

CC1(F)CN(C(=O)O)CCC1O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL20973539 1.00 SMN1; SMN2 (0.33) SMN1; SMN2EPHX2ALDH1A1NPC1
SCHEMBL1965587 0.81 SCN9A (0.33) EPHX2ALDH1A1
SCHEMBL18984068 0.81 SCN9A (0.33) EPHX2ALDH1A1
SCHEMBL19617537 0.81 SMN1; SMN2 (0.35) SMN1; SMN2EPHX2ALDH1A1NPC1
SCHEMBL18983845 0.81 SCN9A (0.33) EPHX2ALDH1A1
SCHEMBL27970472 0.81 SMN1; SMN2 (0.35) SMN1; SMN2EPHX2ALDH1A1NPC1
SCHEMBL23578669 0.79 SMN1; SMN2 (0.38) SMN1; SMN2EPHX2ALDH1A1NPC1
SCHEMBL30782492 0.78 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1NPC1
SCHEMBL28087458 0.78 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1NPC1
SCHEMBL31080572 0.77 EPHX1 (0.47) SMN1; SMN2EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724827-A Fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-03-03 CN disclosed
WO-2022271749-A1 HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER BLUEPRINT MEDICINES CORPORATION (US) 2022-12-29 WO disclosed
WO-2021133809-A1 INHIBITORS OF MUTANT FORMS OF EGFR BLUEPRINT MEDICINES CORPORATION (US) 2021-07-01 WO disclosed
EP-3181564-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2019-09-18 EP disclosed
US-9890152-B2 Aminopyrimidine compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-02-13 US disclosed
CN-104955824-B It is used as the aminopyrimidine compounds of the inhibitor of the EGFR mutant containing T790M 豪夫迈·罗氏有限公司 2017-09-22 CN disclosed
EP-2922851-B1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH INC (US) 2017-07-26 EP disclosed
EP-3181564-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2017-06-21 EP disclosed
US-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-01-21 US disclosed
CN-104955824-A Aminopyrimidine compounds as inhibitors of t790m containing egfr mutants GENENTECH INC 2015-09-30 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 (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-20160016948-A1 AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS EGFR, ERBB2, ERBB3 SMN1; SMN2 4396/4885EPHX2 3304/4885ALDH1A1 3324/4885

“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.