SCHEMBL21130539

SCHEMBL21130539

Cc1c(CO)cccc1-c1ccc2scnc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 4/20 0.51
▸ CD274 Q9NZQ7 4/20 0.51
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ TRPV3 Q8NET8 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ RIPK2 O43353 8/20 0.39
▸ RIPK3 Q9Y572 5/20 0.39
▸ LCK P06239 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ TGFBR1 P36897 3/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ RIPK1 Q13546 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL21130370 0.90 PDCD1 (0.51) PDCD1CD274S1PR1S1PR3FFAR1
SCHEMBL21130597 0.78 PDCD1 (0.57) PDCD1CD274ALOX5APFEN1S1PR1
SCHEMBL21508018 0.76 ALOX5AP (0.49) ALOX5APFEN1FFAR1RIPK2RIPK3
SCHEMBL24093919 0.75 KDM4E (0.50) PDCD1CD274ALOX5APFEN1FFAR1
SCHEMBL21130421 0.75 PDCD1 (0.53) PDCD1CD274S1PR1S1PR3TGFBR1
SCHEMBL21130371 0.74 CD274 (0.52) PDCD1CD274S1PR1S1PR3
SCHEMBL15730734 0.73 ALOX5AP (0.50) ALOX5APFEN1TRPV3FFAR1RIPK2
SCHEMBL16429194 0.73 QPCT (0.48) ALOX5APFEN1FFAR1RIPK2RIPK3
SCHEMBL21790174 0.72 TP53 (0.53) PDCD1CD274ALOX5APFEN1FFAR1
SCHEMBL21130479 0.72 NPC1 (0.53) PDCD1CD274S1PR1S1PR3TGFBR1

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 30/4885ALOX5AP 248/4885
US-10590105-B2 1,3-dihydroxy-phenyl derivatives useful as immunomodulators CD74, CD2, HAVCR2 PDCD1 46/4885CD274 30/4885ALOX5AP 248/4885

“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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