SCHEMBL19706325

SCHEMBL19706325

Cc1nc([C@@H](C)S)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.53
GABRD O14764 1/20 0.53
GABRA1 P14867 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
GABRA4 P48169 1/20 0.53
GABRE P78334 1/20 0.53
GABRA6 Q16445 1/20 0.53
GABRG1 Q8N1C3 1/20 0.53
GABRG3 Q99928 1/20 0.53
GABRQ Q9UN88 1/20 0.53
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL19706424 0.85 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27830917 0.82 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5263170 0.80 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL181362 0.72 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30174186 0.72 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23530075 0.71 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27791924 0.71 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9505952 0.71 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3234799 0.69 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL934127 0.69 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329286-B2 FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2019-06-25 US disclosed
US-20170355693-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2017-12-14 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-10329286-B2 FXR (NR1H4) modulating compounds NR1H4, NR1H2, NR1H3 GABRP 284/4885GABRD 457/4885GABRA1 621/4885
US-20170355693-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 GABRP 284/4885GABRD 457/4885GABRA1 621/4885

“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.