SCHEMBL12995206

SCHEMBL12995206

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CCR3 P51677 2/20 0.36
MDM2 Q00987 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PTGES O14684 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35

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
SCHEMBL12995322 0.95 TP53 (0.36) TP53LMNACYP1A2CYP2D6CYP2C9
SCHEMBL12995207 0.91 NPSR1 (0.40) LMNACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12995209 0.90 AURKA (0.39) TP53CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12995044 0.89 MEN1 (0.38) TP53LMNACYP1A2CYP2D6CYP2C9
SCHEMBL12995213 0.88 KDM1A (0.40) CYP1A2CYP2D6CYP2C9CYP2C19MEN1
SCHEMBL12995473 0.88 NPC1 (0.49) NPC1RAB9AFPR1FPR2EPHX2
SCHEMBL12995204 0.87 HRH3 (0.36) PTGESEPHX2
SCHEMBL12995325 0.87 ALDH1A1 (0.38) LMNACYP2C9CYP2C19MEN1KMT2A
SCHEMBL12994962 0.86 RAB9A (0.39) TP53LMNACYP1A2CYP2D6CYP2C9
SCHEMBL12995170 0.86 NPSR1 (0.35) TP53CYP1A2CYP2D6CYP2C9CYP2C19

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 1012/4885CYP1A2 3179/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS TP53 1262/4885LMNA 1012/4885CYP1A2 3179/4885

“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.