SCHEMBL25818956

SCHEMBL25818956

CC(C)c1cc(Br)cnc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MET P08581 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CTSD P07339 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ DYRK1A Q13627 2/20 0.31
▸ RPS6KA3 P51812 1/20 0.30
▸ PAK4 O96013 1/20 0.30

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
SCHEMBL16533302 0.86 GABRA1 (0.33) GABRA1GABRB1HTTKMT2AMET
SCHEMBL30352415 0.84 GABRA1 (0.36) GABRA1GABRB1HTTKMT2AMET
SCHEMBL23489745 0.84 GABRA1 (0.36) GABRA1GABRB1HTTKMT2AMET
SCHEMBL30309363 0.84 GABRA1 (0.36) GABRA1GABRB1HTTKMT2AMET
SCHEMBL13199698 0.84 GABRA1 (0.36) GABRA1GABRB1HTTKMT2AMET
SCHEMBL26587450 0.81 PDE2A (0.38) GABRA1GABRB1HTTKMT2AMET
SCHEMBL17143720 0.81 HTT (0.35) HTTKMT2ADYRK1A
SCHEMBL16491238 0.78 HRH4 (0.33) RPS6KA3
SCHEMBL29009931 0.78 PTGS2 (0.34) GABRA1GABRB1KMT2A
SCHEMBL26023822 0.78 HTT (0.33) HTTKMT2A

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-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 — — US disclosed
US-11702407-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2023-07-18 — — US disclosed
US-20230212151-A1 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-11702407-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 GABRA1 1516/4885GABRB1 1692/4885HTT 4684/4885
US-20230212149-A1 TRIAZOLE CARBAMATE PYRIDYL SULFONAMIDES AS LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR3, LPAR1, LPAR2 GABRA1 1083/4885GABRB1 1305/4885HTT 4781/4885
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 GABRA1 1718/4885GABRB1 2239/4885HTT 4717/4885
US-11912686-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 GABRA1 1718/4885GABRB1 2239/4885HTT 4717/4885

“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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