SCHEMBL12995181

SCHEMBL12995181

CCOc1ccc2c(-c3nc(C(F)(F)F)cs3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.35
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NTMT1 Q9BV86 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ACACB O00763 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ENPP2 Q13822 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33

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
SCHEMBL12995316 0.96 TP53 (0.37) TP53LMNAPOLBPPARDPPARA
SCHEMBL10096093 0.90 POLB (0.36) TP53LMNAPOLBMEN1KMT2A
SCHEMBL12995466 0.90 NPC1 (0.45) TP53LMNAMEN1KMT2AMAPT
SCHEMBL12995196 0.89 HRH3 (0.34) FABP4FABP5
SCHEMBL12995170 0.87 NPSR1 (0.35) TP53MEN1KMT2AMAPTRXFP1
SCHEMBL10096123 0.86 POLB (0.35) TP53LMNAPOLBMEN1KMT2A
SCHEMBL12995206 0.85 TP53 (0.37) TP53LMNAMEN1KMT2AMAPT
SCHEMBL12995315 0.85 HRH3 (0.34)
SCHEMBL10096105 0.84 RAB9A (0.39) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL10096094 0.84 PDE7A (0.38) TP53LMNAPOLBPPARDPPARA

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 TP53 1262/4885LMNA 1012/4885POLB 2591/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS TP53 1262/4885LMNA 1012/4885POLB 2591/4885

“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.