SCHEMBL18591259

SCHEMBL18591259

CC(C)(C)OC(=O)Cn1cc(S(C)(=O)=O)c2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ KRAS P01116 3/20 0.43
▸ IDO1 P14902 6/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SYK P43405 1/20 0.39
▸ FPR2 P25090 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MCL1 Q07820 1/20 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
SCHEMBL25084330 0.83 KRAS (0.51) SMN1; SMN2GAAKRASIDO1LMNA
SCHEMBL29545410 0.82 KRAS (0.50) SMN1; SMN2GAAKRASIDO1LMNA
SCHEMBL17023679 0.82 KRAS (0.50) SMN1; SMN2GAAKRASIDO1LMNA
SCHEMBL18555583 0.81 KRAS (0.49) SMN1; SMN2GAAKRASIDO1LMNA
SCHEMBL29545450 0.81 KRAS (0.49) SMN1; SMN2GAAKRASIDO1LMNA
SCHEMBL19208218 0.80 SMN1; SMN2 (0.69) SMN1; SMN2GAAKRASKMT2ANPSR1
SCHEMBL18591258 0.79 KDM4E (0.36) SYKMEN1KMT2A
SCHEMBL18555476 0.79 SMN1; SMN2 (0.46) SMN1; SMN2GAAKRASLMNASYK
SCHEMBL17023368 0.75 KRAS (0.41) SMN1; SMN2GAAKRASIDO1LMNA
SCHEMBL29869185 0.75 KRAS (0.41) SMN1; SMN2GAAKRASIDO1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 — — US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 — — 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 (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-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 SMN1; SMN2 2468/4885GAA 2150/4885KRAS 521/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 SMN1; SMN2 2201/4885GAA 2023/4885KRAS 558/4885

“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.

Send feedback