SCHEMBL21130370

SCHEMBL21130370

Cc1c(CO)cccc1-c1ccc2ncsc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 3/20 0.51
▸ CD274 Q9NZQ7 3/20 0.51
▸ PFKFB3 Q16875 5/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ MAPK14 Q16539 1/20 0.41
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ APP P05067 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HKDC1 Q2TB90 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TGFBR1 P36897 4/20 0.38
▸ BMPR1A P36894 1/20 0.38
▸ SMAD2 Q15796 1/20 0.38
▸ VRK1 Q99986 1/20 0.38

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
SCHEMBL21130539 0.90 PDCD1 (0.51) PDCD1CD274S1PR1S1PR3FFAR1
SCHEMBL21130597 0.78 PDCD1 (0.57) PDCD1CD274S1PR1S1PR3TGFBR1
SCHEMBL23480164 0.76 DYRK1A (0.57) PFKFB3DYRK1AMAPK14APPRIPK1
SCHEMBL21130479 0.75 NPC1 (0.53) PDCD1CD274DYRK1AS1PR1S1PR3
SCHEMBL27523310 0.75 DYRK1A (0.49) PFKFB3DYRK1AMAPK14APPRIPK1
SCHEMBL13491577 0.74 CYP3A4 (0.47) KDM4ENPC1RAB9AHKDC1TDP1
SCHEMBL28088760 0.74 DYRK1A (0.51) PFKFB3DYRK1AMAPK14FFAR1APP
SCHEMBL21130426 0.74 CD274 (0.52) PDCD1CD274DYRK1AS1PR1S1PR3
SCHEMBL27558185 0.73 QPCT (0.51) PFKFB3DYRK1AMAPK14FFAR1APP
SCHEMBL21130421 0.72 PDCD1 (0.53) PDCD1CD274MAPK14S1PR1S1PR3

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 30/4885PFKFB3 2972/4885
US-10590105-B2 1,3-dihydroxy-phenyl derivatives useful as immunomodulators CD74, CD2, HAVCR2 PDCD1 46/4885CD274 30/4885PFKFB3 2972/4885

“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.

Send feedback