SCHEMBL19345090

SCHEMBL19345090

N[C@@H](CCc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 3/20 0.58
▸ MMP2 P08253 1/20 0.58
▸ MMP9 P14780 1/20 0.58
▸ MMP13 P45452 1/20 0.58
▸ MMP14 P50281 1/20 0.58
▸ MME P08473 2/20 0.56
▸ FFAR1 O14842 1/20 0.55
▸ ALPI P09923 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ XIAP P98170 1/20 0.52
▸ SLC7A5 Q01650 1/20 0.52
▸ GRIK1 P39086 2/20 0.51
▸ SLC1A5 Q15758 1/20 0.51
▸ SLC1A3 P43003 1/20 0.51
▸ SLC1A2 P43004 1/20 0.51
▸ SLC1A1 P43005 1/20 0.51
▸ GRIA1 P42261 1/20 0.51
▸ GRIA2 P42262 1/20 0.51
▸ GRIA3 P42263 1/20 0.51

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
SCHEMBL27955130 1.00 MMP12 (0.58) MMP12MMP2MMP9MMP13MMP14
Homophenylalanine SCHEMBL1078733 0.89 ALPI (0.64) ALPIPKMPTGS1XIAPSLC7A5
Homophenylalanine SCHEMBL44311 0.89 ALPI (0.64) ALPIPKMPTGS1XIAPSLC7A5
Homophenylalanine SCHEMBL44312 0.89 ALPI (0.64) ALPIPKMPTGS1XIAPSLC7A5
Homophenylalanine SCHEMBL130567 0.89 ALPI (0.64) ALPIPKMPTGS1XIAPSLC7A5
Homophenylalanine SCHEMBL1245414 0.87 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
Homophenylalanine SCHEMBL2305748 0.87 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
Homophenylalanine SCHEMBL28594537 0.87 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
Homophenylalanine SCHEMBL28286602 0.87 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
Homophenylalanine SCHEMBL28287974 0.87 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5

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-9850283-B2 Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-26 — — US disclosed
US-20170260237-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-14 — — 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-20170260237-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS CD274, PDCD1, PDCD1LG2 MMP12 676/4885MMP2 2524/4885MMP9 3079/4885

“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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