SCHEMBL23526320

SCHEMBL23526320

COc1c(Br)cccc1[C@@H](C)NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
SOS1 Q07889 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 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
SCHEMBL23526323 1.00 HTT (0.46) HTTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL30014041 1.00 HTT (0.46) HTTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL29945834 0.82 HTT (0.41) HTTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL26457642 0.82 HTT (0.41) HTTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL28880330 0.82 HTT (0.41) HTTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL17333853 0.81 HTT (0.50) HTTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL23525897 0.81 HTT (0.50) HTTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL1345465 0.80 HTT (0.66) HTTCYP2C9CYP2C19MEN1KMT2A
SCHEMBL2899680 0.80 PTGS2 (0.46) CYP2C9CYP2C19CYP1A2MEN1KMT2A
SCHEMBL23525873 0.78 SOS1 (0.43) MEN1KMT2ALMNAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702418-B2 SOS1 inhibitors Mirati Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-20230137886-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. 2023-05-04 US disclosed
US-20210188857-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. 2021-06-24 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 (3 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-20230137886-A1 SOS1 INHIBITORS SOS1, SOS2, SAV1 HTT 4369/4885CYP2C9 4835/4885CYP2C19 4880/4885
US-20210188857-A1 SOS1 INHIBITORS SOS1, SOS2, SOST HTT 4370/4885CYP2C9 4799/4885CYP2C19 4871/4885
US-11702418-B2 SOS1 inhibitors SOS1, SOS2, SOST HTT 4370/4885CYP2C9 4799/4885CYP2C19 4871/4885

“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.