SCHEMBL20540364

SCHEMBL20540364

Cc1c(Br)cccc1CO.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 3/20 0.52
▸ CD274 Q9NZQ7 3/20 0.52
▸ GABRA1 P14867 2/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.35
▸ TAAR1 Q96RJ0 3/20 0.35
▸ IDO1 P14902 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ TSHR P16473 1/20 0.32

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
SCHEMBL147988 0.98 PDCD1 (0.53) PDCD1CD274GABRA1GABRB2ALDH1A1
SCHEMBL29724539 0.96 PDCD1 (0.52) PDCD1CD274GABRA1GABRB2ALDH1A1
SCHEMBL21623410 0.86 CD274 (0.61) PDCD1CD274GABRA1GABRB2ALDH1A1
Tetrahydrofuran SCHEMBL29044237 0.82 PDCD1 (0.41) PDCD1CD274CYP4F2CYP4A11S1PR1
SCHEMBL6424004 0.81 PDCD1 (0.64) PDCD1CD274GABRA1GABRB2APOBEC3G
SCHEMBL1244819 0.81 TAAR1 (0.38) PDCD1CD274GABRA1GABRB2ALDH1A1
SCHEMBL24122823 0.77 PDCD1 (0.41) PDCD1CD274
SCHEMBL30267045 0.77 GABRA1 (0.41) PDCD1CD274GABRA1GABRB2ALDH1A1
SCHEMBL149686 0.77 GABRA1 (0.41) PDCD1CD274GABRA1GABRB2ALDH1A1
SCHEMBL7322742 0.77 GABRA1 (0.58) GABRA1GABRB2ALDH1A1TAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 — — EP disclosed
EP-3612525-B1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES INC (US) 2021-10-27 — — EP disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 — — US disclosed
EP-3612525-A1 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2020-02-26 — — EP disclosed
CN-110799509-A PD-1/PD-L1 inhibitors 吉利德科学公司 2020-02-14 — — CN disclosed
WO-2018195321-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2018-10-25 — — WO disclosed
US-20180305315-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2018-10-25 — — 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 PDCD1 2/4885CD274 1/4885GABRA1 1706/4885
US-20180305315-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 PDCD1 2/4885CD274 1/4885GABRA1 1706/4885

“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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