SCHEMBL17640650

SCHEMBL17640650

Cc1cc(C(F)(F)F)ncc1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
POLQ O75417 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
BRD9 Q9H8M2 1/20 0.37
IDO1 P14902 1/20 0.37
LCK P06239 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
CYP17A1 P05093 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
METAP1 P53582 1/20 0.36
BRD4 O60885 1/20 0.36
ELANE P08246 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
SCHEMBL5778030 0.85 RXFP1 (0.40) RXFP1LMNAPOLBBRD9CYP17A1
SCHEMBL30884739 0.85 RXFP1 (0.40) RXFP1LMNAPOLBBRD9LCK
SCHEMBL16346775 0.85 RXFP1 (0.40) RXFP1LMNAPOLBBRD9AAK1
SCHEMBL17336530 0.83 AAK1 (0.42) RXFP1BRD9LCKAAK1CYP17A1
SCHEMBL30884735 0.82 AAK1 (0.40) RXFP1AAK1
SCHEMBL30778494 0.82 CYP1A2 (0.41) RXFP1LMNAPOLBAAK1KCNQ3
SCHEMBL535514 0.81 ATR (0.43) BRD9LCKAAK1CA12CA1
SCHEMBL17336445 0.81 AAK1 (0.44) BRD9LCKAAK1CYP17A1CA12
SCHEMBL17018606 0.81 RXFP1 (0.40) RXFP1LMNAPOLBAAK1CYP17A1
SCHEMBL30339214 0.81 RXFP1 (0.40) RXFP1LMNAPOLBAAK1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10420753-B2 Combination therapies for treatment of spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-09-24 US disclosed
US-9895358-B2 Combination therapies for treatment of spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-02-20 US disclosed
US-20170239225-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-08-24 US disclosed
WO-2016046071-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-03-31 WO 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 (2 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-10420753-B2 Combination therapies for treatment of spinal muscular atrophy SMN1; SMN2, MUSK, MYOF RXFP1 3303/4885POLQ 1020/4885LMNA 360/4885
US-20170239225-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYOF RXFP1 3303/4885POLQ 1020/4885LMNA 360/4885

“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.