SCHEMBL21921216

SCHEMBL21921216

CC(C)(C)OC(=O)N1CCC(C(=O)c2cccnc2Br)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ GPR119 Q8TDV5 5/20 0.54
▸ STS P08842 5/20 0.48
▸ PTPN2 P17706 1/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ PTPN6 P29350 1/20 0.48
▸ USP30 Q70CQ3 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL13261261 0.83 STS (0.54) GPR119STSPTPN2PTPN1PTPN6
SCHEMBL29242060 0.80 POLB (0.56) POLBGPR119KMT2A
SCHEMBL406827 0.80 GPR119 (0.62) POLBGPR119STSPTPN2PTPN1
SCHEMBL3813527 0.79 STS (0.62) POLBGPR119STSPTPN2PTPN1
SCHEMBL25452815 0.79 STS (0.51) GPR119STSPTPN2PTPN1PTPN6
SCHEMBL27061355 0.78 POLB (0.54) POLBGPR119
SCHEMBL30476370 0.78 ALDH1A1 (0.54) POLBGPR119USP30NPC1RAB9A
SCHEMBL20817804 0.78 ALDH1A1 (0.54) POLBGPR119USP30NPC1RAB9A
SCHEMBL9003283 0.78 STS (0.54) GPR119STSPTPN2PTPN1PTPN6
SCHEMBL15566640 0.78 STS (0.54) GPR119STSPTPN2PTPN1PTPN6

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-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 — — US disclosed
WO-2020063760-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-04-02 — — 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 (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-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 POLB 2889/4885GPR119 1235/4885STS 192/4885

“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.

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