SCHEMBL23298232

SCHEMBL23298232

O=C(OCc1ccccc1)[C@H](C1CCCC1)N1CC[C@]2(CCN(C(=O)O)C2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CCR5 P51681 2/20 0.42
FKBP1A P62942 8/20 0.41
DPP4 P27487 2/20 0.41
KCNH2 Q12809 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
RIPK1 Q13546 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PREP P48147 1/20 0.37

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
SCHEMBL23298235 1.00 CYP2C19 (0.43) CYP2C19CYP3A4CYP2C9CCR5FKBP1A
SCHEMBL23298255 1.00 CYP2C19 (0.43) CYP2C19CYP3A4CYP2C9CCR5FKBP1A
SCHEMBL23298258 1.00 CYP2C19 (0.43) CYP2C19CYP3A4CYP2C9CCR5FKBP1A
SCHEMBL23298237 1.00 CYP2C19 (0.43) CYP2C19CYP3A4CYP2C9CCR5FKBP1A
SCHEMBL23342998 0.88 USP30 (0.48) CYP2C19CYP3A4CYP2C9FKBP1A
SCHEMBL28838656 0.88 USP30 (0.48) CYP2C19CYP3A4CYP2C9FKBP1A
SCHEMBL28838706 0.88 USP30 (0.48) CYP2C19CYP3A4CYP2C9FKBP1A
SCHEMBL23342997 0.88 USP30 (0.48) CYP2C19CYP3A4CYP2C9FKBP1A
SCHEMBL23343010 0.88 USP30 (0.48) CYP2C19CYP3A4CYP2C9FKBP1A
SCHEMBL29542437 0.86 CCR5 (0.43) CYP2C19CYP3A4CYP2C9CCR5FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4346898-A1 METHODS FOR INHIBITING RAS Revolution Medicines, Inc. (US) 2024-04-10 EP disclosed
EP-4334325-A1 RAS INHIBITORS FOR THE TREATMENT OF CANCER Revolution Medicines, Inc. (US) 2024-03-13 EP disclosed
US-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
EP-4208261-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS Revolution Medicines, Inc. (US) 2023-07-12 EP disclosed
US-20220396589-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2022-12-15 US disclosed
US-20210130326-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-05-06 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 (4 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-20220396589-A1 RAS INHIBITORS KRAS, NRAS, HRAS CYP2C19 3891/4885CYP3A4 3727/4885CYP2C9 3894/4885
US-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS CYP2C19 2980/4885CYP3A4 3310/4885CYP2C9 3287/4885
US-20210130326-A1 RAS INHIBITORS KRAS, NRAS, HRAS CYP2C19 3930/4885CYP3A4 3780/4885CYP2C9 3961/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR CYP2C19 4869/4885CYP3A4 4873/4885CYP2C9 4876/4885

“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.