SCHEMBL17138019

SCHEMBL17138019

CC(C)(c1cccnc1OC(=O)Oc1ncccc1C(C)(C)C(F)F)C(F)F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.38
PLCG1 P19174 1/20 0.38
P2RY1 P47900 6/20 0.37
TRPV1 Q8NER1 2/20 0.36
GAA P10253 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
SSTR4 P31391 3/20 0.36
NFE2L2 Q16236 2/20 0.35
P2RY14 Q15391 2/20 0.35
SSTR1 P30872 1/20 0.35

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
SCHEMBL17138021 0.91 P2RY1 (0.38) TRPV4PLCG1P2RY1TRPV1GAA
SCHEMBL25023658 0.82 SLC22A12 (0.44) TRPV4PLCG1SLC22A12NFE2L2
SCHEMBL30581481 0.82 SLC22A12 (0.44) TRPV4PLCG1SLC22A12NFE2L2
SCHEMBL17025934 0.81 PLCG1 (0.40) PLCG1P2RY1TRPV1GAASLC22A12
SCHEMBL5709016 0.78 SLC22A12 (0.47) P2RY1SLC22A12SSTR4NFE2L2SSTR1
SCHEMBL16678279 0.77 PLCG1 (0.40) PLCG1P2RY1SLC22A12SSTR4SSTR1
SCHEMBL29100772 0.71 P2RY1 (0.44) PLCG1P2RY1P2RY14
SCHEMBL4947195 0.71 SSTR4 (0.44) P2RY1TRPV1SLC22A12SSTR4NFE2L2
SCHEMBL17025936 0.71 PLCG1 (0.40) PLCG1P2RY1TRPV1SLC22A12SSTR4
SCHEMBL1597855 0.71 NOS3 (0.42) SSTR4SSTR1

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-9598433-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
US-9499550-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-22 US disclosed
US-20150284409-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 US disclosed
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 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-20150284409-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 TRPV4 4846/4885PLCG1 2933/4885P2RY1 4081/4885
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, GOT1 TRPV4 4846/4885PLCG1 2933/4885P2RY1 4081/4885

“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.