SCHEMBL21130533

SCHEMBL21130533

Cc1c(CO)cccc1-c1cnc2ccc(Br)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 2/20 0.42
▸ CD274 Q9NZQ7 2/20 0.42
▸ S1PR1 P21453 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ PTGES O14684 7/20 0.37
▸ PDGFRB P09619 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 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
SCHEMBL21130590 0.84 PDCD1 (0.53) PDCD1CD274S1PR1S1PR3MEN1
SCHEMBL29191418 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTALOX12
SCHEMBL21130432 0.75 CD274 (0.42) PDCD1CD274
SCHEMBL5198475 0.72 PTGES (0.51) MEN1KMT2AALDH1A1MAPTALOX12
SCHEMBL21130430 0.70 CD274 (0.53) PDCD1CD274S1PR1S1PR3MEN1
SCHEMBL21130425 0.69 CD274 (0.54) PDCD1CD274S1PR1S1PR3MEN1
SCHEMBL20928219 0.69 BCHE (0.53) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL29589634 0.69 ALDH1A1 (0.36) MEN1KMT2AALDH1A1MAPTALOX12
SCHEMBL21130363 0.69 PDCD1 (0.58) PDCD1CD274S1PR1S1PR3ALDH1A1
SCHEMBL24263634 0.68 HDAC6 (0.52) NPC1RAB9AATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689640-B Compounds useful as immunomodulators 百时美施贵宝公司 2022-01-04 — — CN disclosed
EP-3481815-B1 1,3-DIHYDROXY-PHENYL DERIVATIVES USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-09-29 — — EP disclosed
US-10590105-B2 1,3-dihydroxy-phenyl derivatives useful as immunomodulators BRISTOL-MEYERS SQUIBB COMPANY (US) 2020-03-17 — — US disclosed
US-20190185450-A1 1,3-DIHYDROXY-PHENYL DERIVATIVES USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-06-20 — — 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-20190185450-A1 1,3-DIHYDROXY-PHENYL DERIVATIVES USEFUL AS IMMUNOMODULATORS CD74, CD2, HAVCR2 PDCD1 46/4885CD274 30/4885S1PR1 339/4885
US-10590105-B2 1,3-dihydroxy-phenyl derivatives useful as immunomodulators CD74, CD2, HAVCR2 PDCD1 46/4885CD274 30/4885S1PR1 339/4885

“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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