SCHEMBL20540434

SCHEMBL20540434

CCOC(COc1ccc(-c2cccc(-c3cccc4c3CC[C@@H]4O)c2C)cc1)OCC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.43
S1PR2 O95136 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43
FFAR1 O14842 7/20 0.36
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL20539857 0.82 PDCD1 (0.38)
SCHEMBL20540313 0.75 S1PR1 (0.41) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL20539635 0.75 PTPN1 (0.34) FFAR1
SCHEMBL20539249 0.75 PDCD1 (0.46) FFAR1
SCHEMBL20539250 0.75 PDCD1 (0.46) FFAR1
SCHEMBL28360397 0.73 PDCD1 (0.46) FFAR1
SCHEMBL20540087 0.73 S1PR1 (0.40) S1PR1
SCHEMBL32930869 0.71 SMN1; SMN2 (0.47) FFAR1
SCHEMBL23948898 0.69 S1PR1 (0.42) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL20540210 0.69 S1PR1 (0.42) S1PR1S1PR2S1PR4S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590062-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2026-03-31 US disclosed
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
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
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
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
CN-110799509-A PD-1/PD-L1 inhibitors 吉利德科学公司 2020-02-14 CN 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 (3 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 S1PR1 1861/4885S1PR2 2393/4885S1PR4 3782/4885
US-12590062-B2 PD-1/PD-L1 inhibitors CD274, PDCD1LG2, PDCD1 S1PR1 1413/4885S1PR2 2061/4885S1PR4 2160/4885
US-20180305315-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 S1PR1 1861/4885S1PR2 2393/4885S1PR4 3782/4885

“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.