Sugi Predict

Sugi Predict / Compounds / SCHEMBL23489779

SCHEMBL23489779

SCHEMBL23489779

Cc1ncccc1[C@@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.39
▸ GAA P10253 2/20 0.37
▸ GABRA1 P14867 2/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ SLC40A1 Q9NP59 1/20 0.34
▸ PLAU P00749 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ CA1 P00915 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
SCHEMBL24113945 1.00 P2RX7 (0.39) P2RX7GAAGABRA1GABRB2HRH1
SCHEMBL15927758 1.00 P2RX7 (0.39) P2RX7GAAGABRA1GABRB2HRH1
SCHEMBL5698980 1.00 P2RX7 (0.39) P2RX7GAAGABRA1GABRB2HRH1
SCHEMBL11072786 0.84 P2RX7 (0.40) P2RX7GAAGABRA1GABRB2HRH1
SCHEMBL2084703 0.82 GABRA1 (0.44) P2RX7GABRA1GABRB2HRH1NPC1
SCHEMBL29945659 0.78 CYP1A2 (0.41) P2RX7HRH1MKNK1MKNK2NPC1
SCHEMBL3290076 0.78 CYP1A2 (0.41) P2RX7HRH1MKNK1MKNK2NPC1
SCHEMBL24595138 0.78 HRH1 (0.37) P2RX7GABRA1GABRB2HRH1MKNK1
SCHEMBL22545223 0.78 CYP1A2 (0.41) P2RX7HRH1MKNK1MKNK2NPC1
SCHEMBL13713003 0.78 GABRA1 (0.41) GAAGABRA1GABRB2NPC1HSP90AA1

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
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 — — US disclosed
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 — — US disclosed
US-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2023-01-10 — — US disclosed
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2021-06-10 — — 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-11548871-B2 Triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof LPAR3, LPAR1, LPAR2 P2RX7 526/4885GAA 1974/4885GABRA1 1083/4885
US-20210171500-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 P2RX7 526/4885GAA 1974/4885GABRA1 1083/4885
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 P2RX7 526/4885GAA 1974/4885GABRA1 1083/4885

“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.