SCHEMBL4153602

SCHEMBL4153602

Cc1cc([C@@H]2CN(C(=O)O)CC[C@H]2NC(=O)c2cc(Br)cc(C(F)(F)F)c2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ SPTLC2 O15270 6/20 0.37
▸ F2R P25116 2/20 0.36
▸ TAS1R3 Q7RTX0 2/20 0.36
▸ TAS1R1 Q7RTX1 2/20 0.36
▸ TAS1R2 Q8TE23 2/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ CCR2 P41597 1/20 0.35
▸ DDR1 Q08345 2/20 0.35
▸ TACR2 P21452 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ TAC3 Q9UHF0 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 1/20 0.34

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
SCHEMBL4153598 1.00 UBE2M (0.38) UBE2MDCUN1D1SPTLC2F2RTAS1R3
SCHEMBL4144763 0.94 SPTLC2 (0.39) UBE2MDCUN1D1SPTLC2F2RTAS1R3
SCHEMBL4144757 0.94 SPTLC2 (0.39) UBE2MDCUN1D1SPTLC2F2RTAS1R3
SCHEMBL4165445 0.93 SPTLC2 (0.37) SPTLC2F2RTAS1R3TAS1R1TAS1R2
SCHEMBL4165448 0.93 SPTLC2 (0.37) SPTLC2F2RTAS1R3TAS1R1TAS1R2
SCHEMBL4146084 0.91 SPTLC2 (0.41) SPTLC2F2RNOTUMCCR2DDR1
SCHEMBL4146083 0.91 SPTLC2 (0.41) SPTLC2F2RNOTUMCCR2DDR1
SCHEMBL4148357 0.89 SPTLC2 (0.40) SPTLC2F2RTAS1R3TAS1R1TAS1R2
SCHEMBL4148360 0.89 SPTLC2 (0.40) SPTLC2F2RTAS1R3TAS1R1TAS1R2
SCHEMBL13801590 0.89 USP30 (0.43) TACR1

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-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 — — US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 — — 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 (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-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT UBE2M 1873/4885DCUN1D1 3272/4885SPTLC2 3640/4885

“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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