SCHEMBL10096296

SCHEMBL10096296

CCn1c(-c2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.43
KIF11 P52732 1/20 0.38
S1PR1 P21453 5/20 0.37
NR1H3 Q13133 3/20 0.34
KDM1A O60341 1/20 0.33
METAP2 P50579 2/20 0.32
PGR P06401 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CTSK P43235 1/20 0.32
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10096294 0.92 KIF11 (0.38) PTGDR2KIF11S1PR1NR1H3KDM1A
SCHEMBL10096291 0.89 S1PR1 (0.36) PTGDR2S1PR1NR1H3KDM1APGR
SCHEMBL10095459 0.88 METAP2 (0.37) KIF11S1PR1KDM1AMETAP2SMN1; SMN2
SCHEMBL10096293 0.88 S1PR1 (0.35) PTGDR2S1PR1KDM1APGRCTSK
SCHEMBL10096292 0.85 S1PR1 (0.36) KIF11S1PR1NR1H3KDM1AMETAP2
SCHEMBL10095411 0.85 ALDH1A1 (0.36) PGRSMN1; SMN2NR3C1NR3C2AR
SCHEMBL13151959 0.85 PTGDR2 (0.45) PTGDR2KIF11S1PR1KDM1AMETAP2
SCHEMBL10096295 0.85 S1PR1 (0.36) KIF11S1PR1KDM1ACTSK
SCHEMBL10095545 0.83 KIF11 (0.48) KIF11S1PR1PGRNR3C1NR3C2
SCHEMBL983249 0.83 GRIK2 (0.45) METAP2SMN1; SMN2MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
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-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-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 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-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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 (4 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS PTGDR2 3150/4885KIF11 3250/4885S1PR1 1885/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS PTGDR2 3968/4885KIF11 3685/4885S1PR1 2500/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PTGDR2 3968/4885KIF11 3685/4885S1PR1 2500/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PTGDR2 3914/4885KIF11 3790/4885S1PR1 2275/4885

“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.