SCHEMBL12995473

SCHEMBL12995473

CCOc1ccc2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
EPHX2 P34913 16/20 0.46
GAA P10253 1/20 0.43
EPHX1 P07099 2/20 0.41
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41

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
SCHEMBL12995482 0.91 NPC1 (0.52) NPC1RAB9AEPHX2EPHX1FPR2
SCHEMBL13053079 0.90 NPC1 (0.52) NPC1RAB9AEPHX2GAAEPHX1
SCHEMBL14468119 0.90 RAB9A (0.52) NPC1RAB9AEPHX2GAAEPHX1
SCHEMBL12995485 0.90 NPC1 (0.52) NPC1RAB9AEPHX2EPHX1
SCHEMBL12995358 0.89 NPC1 (0.52) NPC1RAB9AEPHX2GAAEPHX1
SCHEMBL12995206 0.88 TP53 (0.37) NPC1RAB9AEPHX2FPR1FPR2
SCHEMBL12995487 0.88 NPC1 (0.52) NPC1RAB9AEPHX2GAAEPHX1
SCHEMBL12995456 0.87 NPC1 (0.45) NPC1RAB9AEPHX2GAAEPHX1
SCHEMBL12995322 0.86 TP53 (0.36) EPHX2FPR1FPR2
SCHEMBL12995332 0.86 NPC1 (0.55) NPC1RAB9AEPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299068-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

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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS NPC1 87/4885RAB9A 2829/4885EPHX2 2630/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NPC1 87/4885RAB9A 2829/4885EPHX2 2630/4885

“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.