Sugi Predict

Sugi Predict / Compounds / SCHEMBL12995170

SCHEMBL12995170

SCHEMBL12995170

CCOc1ccc2c(-c3nc(C(F)(F)F)co3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 4/20 0.34
▸ TP53 P04637 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ IDH1 O75874 2/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ BRD4 O60885 1/20 0.32

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
SCHEMBL10096121 0.96 MAPT (0.33) NPSR1MEN1KMT2AMAPTTP53
SCHEMBL10096092 0.91 POLB (0.36) NPSR1MEN1KMT2AMAPTTP53
SCHEMBL12995456 0.89 NPC1 (0.45) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL12995172 0.89 HRH3 (0.34) IDH1
SCHEMBL10096120 0.87 POLB (0.35) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL12995181 0.87 TP53 (0.38) NPSR1MEN1KMT2AMAPTTP53
SCHEMBL12995206 0.86 TP53 (0.37) NPSR1MEN1KMT2AMAPTTP53
SCHEMBL12923561 0.85 MAPT (0.38) NPSR1MEN1KMT2AMAPTCYP1A2
SCHEMBL10096067 0.85 IDO1 (0.37) NPSR1MEN1KMT2AMAPTTP53
SCHEMBL12995309 0.85 HRH3 (0.33) IDH1

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 NPSR1 3320/4885MEN1 4800/4885KMT2A 4464/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NPSR1 3320/4885MEN1 4800/4885KMT2A 4464/4885

“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.