SCHEMBL22061317

SCHEMBL22061317

COC(=O)[C@H](Cc1nn(CC(=O)OC(C)(C)C)c2ccccc12)NC(O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KLK5 Q9Y337 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ YAP1 P46937 1/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ ATM Q13315 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
SCHEMBL19410160 0.87 SLC16A3 (0.47) SLC16A3KDM4EALDH1A1LMNAHPGD
SCHEMBL19410158 0.87 SLC16A3 (0.47) SLC16A3KDM4EALDH1A1LMNAHPGD
SCHEMBL31189237 0.87 SLC16A3 (0.47) SLC16A3KDM4EALDH1A1LMNAHPGD
SCHEMBL19410123 0.82 SLC16A3 (0.48) SLC16A3KDM4EALDH1A1LMNAHPGD
SCHEMBL19410121 0.82 SLC16A3 (0.48) SLC16A3KDM4EALDH1A1LMNAHPGD
SCHEMBL30711155 0.82 SLC16A3 (0.48) SLC16A3KDM4EALDH1A1LMNAHPGD
SCHEMBL30711162 0.75 SLC16A3 (0.46) SLC16A3KDM4EALDH1A1LMNAHPGD
SCHEMBL19410139 0.75 SLC16A3 (0.46) SLC16A3KDM4EALDH1A1LMNAHPGD
SCHEMBL19410138 0.75 SLC16A3 (0.46) SLC16A3KDM4EALDH1A1LMNAHPGD
SCHEMBL30711161 0.71 SLC16A3 (0.48) SLC16A3KDM4EALDH1A1LMNAHPGD

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-11066445-B2 Immunomodulators acting as antagonists of PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-20 — — US disclosed
US-20200172578-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-04 — — 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 (2 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-20200172578-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 CD274, PDCD1, PDCD1LG2 SLC16A3 3333/4885KDM4E 3194/4885ALDH1A1 4359/4885
US-11066445-B2 Immunomodulators acting as antagonists of PD-1 CD274, PDCD1, PDCD1LG2 SLC16A3 3386/4885KDM4E 2895/4885ALDH1A1 3710/4885

“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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