SCHEMBL10096293

SCHEMBL10096293

CCCN(c1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.35
PER2 O15055 3/20 0.34
CRY1 Q16526 3/20 0.34
CRY2 Q49AN0 3/20 0.34
SERPINE1 P05121 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
RORC P51449 2/20 0.32
NR1I2 O75469 1/20 0.32
RORA P35398 1/20 0.32
NR1H2 P55055 1/20 0.32
RORB Q92753 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
KDM1A O60341 1/20 0.31
LMNA P02545 1/20 0.31
AR P10275 2/20 0.31
CTSK P43235 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
MMP2 P08253 2/20 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
SCHEMBL10096295 0.94 S1PR1 (0.36) S1PR1SERPINE1RORCNR1I2RORA
SCHEMBL10096291 0.93 S1PR1 (0.36) S1PR1PER2CRY1CRY2PTGDR2
SCHEMBL10096292 0.89 S1PR1 (0.36) S1PR1RORCNR1I2RORANR1H2
SCHEMBL10096296 0.88 PTGDR2 (0.43) S1PR1PTGDR2KDM1AARCTSK
SCHEMBL10096294 0.86 KIF11 (0.38) S1PR1PTGDR2KDM1ACTSK
SCHEMBL13151942 0.86 SERPINE1 (0.34) S1PR1PER2CRY1CRY2SERPINE1
SCHEMBL10095459 0.83 METAP2 (0.37) S1PR1KDM1ACTSK
SCHEMBL10095545 0.81 KIF11 (0.48) S1PR1ARNR3C1PGRNR3C2
SCHEMBL10193437 0.80 PER2 (0.38) PER2CRY1CRY2RORCKDM1A
SCHEMBL10097259 0.80 KIF11 (0.39) S1PR1RORCRORARORBCTSK

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 S1PR1 1885/4885PER2 2442/4885CRY1 1867/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS S1PR1 2500/4885PER2 3160/4885CRY1 3388/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS S1PR1 2500/4885PER2 3160/4885CRY1 3388/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP S1PR1 2275/4885PER2 2648/4885CRY1 4383/4885

“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.