SCHEMBL18281156

SCHEMBL18281156

COC(=O)Cc1cnc(SCC2CC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
HSP90AB1 P08238 1/20 0.38
MAPT P10636 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
GAA P10253 2/20 0.36
GFER P55789 1/20 0.36
METAP2 P50579 1/20 0.36
CYP19A1 P11511 1/20 0.35
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CTSK P43235 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
KDM3B Q7LBC6 1/20 0.33
HIF1AN Q9NWT6 1/20 0.33
KDM2A Q9Y2K7 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
SCHEMBL18281143 0.82 GABRP (0.40) RAB9AKDM6BKDM4AKDM4DKDM3B
SCHEMBL23193740 0.77 CYP4F2 (0.49) ALDH1A1RAB9ANPC1HSP90AB1MAPT
SCHEMBL10064185 0.71 HSP90AB1 (0.50) ALDH1A1RAB9ANPC1HSP90AB1CYP4F2
SCHEMBL21702330 0.70 ALDH1A1 (0.55) ALDH1A1RAB9ANPC1HSP90AB1MAPT
SCHEMBL18281160 0.69 RORC (0.49) SMN1; SMN2
SCHEMBL25406145 0.68 HSP90AB1 (0.47) ALDH1A1RAB9ANPC1HSP90AB1CYP4F2
SCHEMBL23242638 0.68 RAB9A (0.47) ALDH1A1RAB9ANPC1HSP90AB1MAPT
SCHEMBL29990038 0.68 RAB9A (0.47) ALDH1A1RAB9ANPC1HSP90AB1MAPT
SCHEMBL21679073 0.68 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1HSP90AB1MAPT
SCHEMBL21678965 0.68 GAA (0.39) ALDH1A1RAB9ANPC1HSP90AB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3319942-B1 ROR-GAMMA MODULATORS LEAD PHARMA B V (NL) 2020-03-11 EP disclosed
US-20190040012-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING B.V. (NL) 2019-02-07 US disclosed
US-10118895-B2 ROR gamma (RORγ) modulators LEAD PHARMA HOLDING B.V. (NL) 2018-11-06 US disclosed
US-20180141909-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA HOLDING B.V. (NL) 2018-05-24 US disclosed
EP-3319942-A1 ROR GAMMA (RORY) MODULATORS Lead Pharma Holding B.V. (NL) 2018-05-16 EP disclosed
WO-2016193468-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-12-08 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 (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-20190040012-A1 ROR GAMMA (RORY) MODULATORS RORC, RORA, RORB ALDH1A1 1160/4885RAB9A 454/4885NPC1 832/4885
US-20180141909-A1 ROR GAMMA (RORY) MODULATORS RORC, RORA, RORB ALDH1A1 1085/4885RAB9A 369/4885NPC1 830/4885
US-10118895-B2 ROR gamma (RORγ) modulators RORC, RORA, RORB ALDH1A1 1059/4885RAB9A 615/4885NPC1 808/4885

“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.