SCHEMBL19410132

SCHEMBL19410132

CC(C)COC(=O)Cc1nn(CC(C(=O)O)N(C(=O)OCC(C)C)C(=O)OCC(C)C)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 1/20 0.38
▸ ELANE P08246 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SLC16A3 O15427 1/20 0.36
▸ AKR1B1 P15121 2/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ NCOR2 Q9Y618 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
SCHEMBL28382342 0.87 AKR1B1 (0.34) RECQLALDH1A1TP53ELANEKMT2A
SCHEMBL19410131 0.81 SLC16A3 (0.43) RECQLALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL19410171 0.80 ALDH1A1 (0.36) RECQLALDH1A1TP53ELANEAKR1B1
SCHEMBL19410200 0.79 PLK1 (0.45) RECQLALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28384327 0.71 SLC16A3 (0.39) ALDH1A1SMN1; SMN2KDM4EHPGDHTT
SCHEMBL19410194 0.69 PLK1 (0.42) ALDH1A1KDM4ELMNAKMT2AL3MBTL1
SCHEMBL19410197 0.68 SLC16A3 (0.46) RECQLALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL19236739 0.67 KDM4E (0.46) ALDH1A1TP53ELANESMN1; SMN2KDM4E
SCHEMBL24920180 0.65 KDM4E (0.44) ALDH1A1TP53ELANESMN1; SMN2KDM4E
SCHEMBL1992765 0.64 RECQL (0.56) RECQLALDH1A1SMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3440097-B1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2024-10-23 — — EP disclosed
CN-110997698-B Immunomodulatory agents acting as PD-1 antagonists 百时美施贵宝公司 2023-12-26 — — CN disclosed
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
EP-3642220-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 Bristol-Myers Squibb Company (US) 2020-04-29 — — EP disclosed
CN-110997698-A Immunomodulators acting as PD-1 antagonists 百时美施贵宝公司 2020-04-10 — — CN disclosed
US-10358463-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-23 — — US disclosed
EP-3440097-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS Bristol-Myers Squibb Company (US) 2019-02-13 — — EP disclosed
WO-2018237153-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-27 — — WO disclosed
WO-2017176608-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-12 — — WO disclosed
US-20170283463-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-10-05 — — 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 (4 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-20170283463-A1 IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 RECQL 2360/4885ALDH1A1 3723/4885TP53 61/4885
US-10358463-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 RECQL 2360/4885ALDH1A1 3723/4885TP53 61/4885
US-20200172578-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 CD274, PDCD1, PDCD1LG2 RECQL 3259/4885ALDH1A1 4359/4885TP53 134/4885
US-11066445-B2 Immunomodulators acting as antagonists of PD-1 CD274, PDCD1, PDCD1LG2 RECQL 2628/4885ALDH1A1 3710/4885TP53 95/4885

“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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