SCHEMBL19782115

SCHEMBL19782115

CCSc1cnc(CC(=O)O)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
AGBL2 Q5U5Z8 2/20 0.33
GABRA5 P31644 3/20 0.32
GABRB2 P47870 3/20 0.32
GABRA1 P14867 2/20 0.32
GABRA4 P48169 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GABRR1 P24046 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32

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
SCHEMBL19781640 0.81 SMN1; SMN2 (0.42) KDM4EGAANPC1RAB9AMAPT
SCHEMBL16430586 0.77 CHRNB2 (0.39) KDM4EHSD17B10NPC1POLBRAB9A
SCHEMBL19782159 0.75 P4HTM (0.53) KDM4EGAAGABRA5GABRB2GABRA1
SCHEMBL25813140 0.74 AOC3 (0.40) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL29593515 0.72 AGBL2 (0.41) KDM4EAGBL2GABRA5GABRB2GABRA1
SCHEMBL1363917 0.72 AGBL2 (0.41) KDM4EAGBL2GABRA5GABRB2GABRA1
SCHEMBL27940385 0.71 GABRA5 (0.38) KDM4EAGBL2GABRA5GABRB2GABRA1
SCHEMBL28940883 0.70 GABRA5 (0.37) KDM4EAGBL2GABRA5GABRB2GABRA1
SCHEMBL27940310 0.70 AGBL2 (0.38) KDM4EAGBL2GABRA5GABRB2GABRA1
SCHEMBL27837903 0.70 GABRA5 (0.37) KDM4EGAAAGBL2GABRA5GABRB2

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 KDM4E 2898/4885GAA 1801/4885AGBL2 4380/4885

“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.