SCHEMBL19782159

SCHEMBL19782159

CCSc1ccc(CC(=O)O)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.53
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 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 3/20 0.46

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
SCHEMBL29563968 0.85 NPC1 (0.43) P4HTMGABRPGABRDGABRA1GABRB1
SCHEMBL2900764 0.83 GABRP (0.56) P4HTMGABRPGABRDGABRA1GABRB1
SCHEMBL4432631 0.76 ALDH1A1 (0.65) P4HTMGABRPGABRDGABRA1GABRB1
SCHEMBL7993593 0.75 PIK3CD (0.41) ALDH1A1TSHRSMN1; SMN2TDP1LMNA
SCHEMBL19782115 0.75 KDM4E (0.34) P4HTMGABRPGABRDGABRA1GABRB1
SCHEMBL12303329 0.74 GABRP (0.58) P4HTMGABRPGABRDGABRA1GABRB1
SCHEMBL1403717 0.73 ALDH1A1 (0.53) ALDH1A1HSD17B10HPGDTSHRLMNA
SCHEMBL575044 0.73 GABRP (0.61) P4HTMGABRPGABRDGABRA1GABRB1
SCHEMBL19781647 0.72 NPC1 (0.48) ALDH1A1HSD17B10HPGDTDP1LMNA
Hydrochloric Acid SCHEMBL7020108 0.72 GABRP (0.59) P4HTMGABRPGABRDGABRA1GABRB1

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-20190152962-A1 CYCLOPROPYL DERIVATIVES AS ROR-GAMMA MODULATORS CADILA HEALTHCARE LIMITED (IN) 2019-05-23 US disclosed
WO-2018011746-A1 CYCLOPROPYL DERIVATIVES AS ROR-GAMMA MODULATORS CADILA HEALTHCARE LIMITED (IN) 2018-01-18 WO 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 (1 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-20190152962-A1 CYCLOPROPYL DERIVATIVES AS ROR-GAMMA MODULATORS RORC, RORB, RORA P4HTM 1238/4885GABRP 378/4885GABRD 327/4885

“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.