SCHEMBL19199750

SCHEMBL19199750

Cc1ccc(C(F)(F)F)c(C2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.48
HTR2C P28335 2/20 0.43
SYK P43405 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
RBP4 P02753 4/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
TRPA1 O75762 1/20 0.35
AR P10275 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL25601320 0.93 NOTUM (0.42) NOTUMHTR2CSYKCHRNB2CHRNA4
SCHEMBL16957247 0.85 NOTUM (0.54) NOTUMHTR2CSYKCHRNB2CHRNA4
SCHEMBL22864314 0.81 CHRNB2 (0.37) NOTUMHTR2CSYKCHRNB2CHRNA4
SCHEMBL24728251 0.80 RBP4 (0.50) RBP4SLC6A3
SCHEMBL13141203 0.79 NOTUM (0.49) NOTUMHTR2CSYKCHRNB2CHRNA4
SCHEMBL22083833 0.78 NOTUM (0.48) NOTUMHTR2CSYKCHRNB2CHRNA4
SCHEMBL18946083 0.78 NOTUM (0.48) NOTUMHTR2CSYKCHRNB2CHRNA4
SCHEMBL21466401 0.78 NOTUM (0.46) NOTUMHTR2CCHRNB2CHRNA4RBP4
SCHEMBL18394277 0.77 GAA (0.48) NOTUMHTR2CCHRNB2CHRNA4RBP4
SCHEMBL24633967 0.77 KDM1A (0.49) NOTUMHTR2CRBP4PTGDR2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 US disclosed
WO-2019191166-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2019-10-03 WO disclosed
WO-2017155844-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2017-09-14 WO disclosed
US-20170253609-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-09-07 US disclosed
US-20170217974-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-08-03 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 (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-20170217974-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 NOTUM 2866/4885HTR2C 4660/4885SYK 3785/4885
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES CYCS, CYP2E1, AHR NOTUM 2199/4885HTR2C 1794/4885SYK 779/4885
US-20170253609-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, PYGL, SLC10A1 NOTUM 3131/4885HTR2C 4713/4885SYK 3977/4885

“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.