SCHEMBL30487540

SCHEMBL30487540

CCOC(=O)C[C@@H](c1cc(Cl)cc(Cl)c1)N(C(=O)OC)C1CC2(C1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.35
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
EHMT2 Q96KQ7 1/20 0.33
ALOX15 P16050 1/20 0.32
NOTCH1 P46531 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ACACB O00763 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CETP P11597 1/20 0.31
KRAS P01116 2/20 0.31

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
SCHEMBL20141269 0.89 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2NPSR1GAAENPP2
SCHEMBL20157752 0.87 STS (0.44) STSALOX15TP53POLBALDH1A1
SCHEMBL20157732 0.81 STS (0.39) STSOXTRAVPR1AEHMT2ALOX15
SCHEMBL23747269 0.79 STS (0.36) STSALOX15NOTCH1TP53POLB
SCHEMBL30487464 0.77 STS (0.37) STSNOTCH1TP53POLBALDH1A1
SCHEMBL20157734 0.76 ALDH1A1 (0.44) STSNOTCH1TP53POLBALDH1A1
SCHEMBL20157748 0.72 CETP (0.35) EHMT2POLBALDH1A1SMN1; SMN2ACACB
SCHEMBL21317519 0.71 STS (0.41) STSOXTRAVPR1AEHMT2POLB
SCHEMBL20158218 0.71 STS (0.42) STSEHMT2ALOX15P2RX3TP53
SCHEMBL21314453 0.71 STS (0.41) STSOXTRAVPR1AEHMT2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 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-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 STS 1072/4885OXTR 547/4885AVPR1A 314/4885

“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.