SCHEMBL10096018

SCHEMBL10096018

CCOc1ccc2cc(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ACACB O00763 1/20 0.39
PABPC1 P11940 1/20 0.38
MAPT P10636 1/20 0.38
FAAH O00519 1/20 0.38
TP53 P04637 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38

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
SCHEMBL10096101 0.95 KMT2A (0.40) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL12106431 0.87 RAB9A (0.38) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL10096129 0.85 NPC1 (0.58) CYP2D6CYP2C19HPGDNPC1RAB9A
SCHEMBL12994957 0.85 HRH3 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL12105783 0.83 TP53 (0.45) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL12104523 0.82 RAB9A (0.37) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL12995091 0.82 RAB9A (0.40) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL12994960 0.82 NPC1 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL12994962 0.81 RAB9A (0.39) CYP1A2CYP2D6CYP2C9CYP2C19HPGD
SCHEMBL10097368 0.81 RAB9A (0.39) CYP1A2CYP2D6CYP2C9CYP2C19HPGD

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 11 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-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
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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 (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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS CYP1A2 623/4885CYP2D6 1732/4885CYP2C9 1068/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS CYP1A2 3179/4885CYP2D6 4186/4885CYP2C9 3639/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP CYP1A2 3228/4885CYP2D6 4161/4885CYP2C9 4562/4885

“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.