SCHEMBL981797

SCHEMBL981797

CCn1c(-c2ccc(N3CCCS3(O)O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.33
TRPA1 O75762 2/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM1A O60341 1/20 0.31
RXRA P19793 1/20 0.30
F2RL3 Q96RI0 1/20 0.30

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
SCHEMBL981798 0.90 TRPA1 (0.35) ESR1TRPA1SCN5ASCN9AGRIK1
SCHEMBL10096201 0.83 TRPA1 (0.33) ESR1TRPA1SCN5ASCN9A
SCHEMBL10096202 0.81 ESR1 (0.34) ESR1TRPA1SCN5ASCN9AKDM1A
SCHEMBL10096203 0.80 PTGER4 (0.34) ESR1TRPA1SCN5ASCN9A
SCHEMBL982387 0.79 TRPA1 (0.39) TRPA1SCN5ASCN9AGRIK1GRIK2
SCHEMBL10096313 0.79 MAPT (0.34) ESR1GRIK1GRIK2KDM4EALDH1A1
SCHEMBL981835 0.79 CNR2 (0.37) ESR1KDM4EMAPK1HTT
SCHEMBL981767 0.79 KDM4E (0.43) ESR1GRIK1GRIK2KDM4EALDH1A1
SCHEMBL10095288 0.78 GRIK2 (0.49) TRPA1SCN5ASCN9AGRIK1GRIK2
SCHEMBL10096259 0.78 PTGER1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
CN-101541748-A Methods for treating hepatitis C PTC THERAPEUTICS INC (US) 2009-09-23 CN disclosed
EP-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 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 (6 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS ESR1 2062/4885TRPA1 2497/4885SCN5A 3565/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS ESR1 2188/4885TRPA1 2850/4885SCN5A 3682/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ESR1 2062/4885TRPA1 2497/4885SCN5A 3565/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ESR1 2062/4885TRPA1 2497/4885SCN5A 3565/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS ESR1 2062/4885TRPA1 2497/4885SCN5A 3565/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS ESR1 2062/4885TRPA1 2497/4885SCN5A 3565/4885

“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.