SCHEMBL12995228

SCHEMBL12995228

CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 5/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
PAX8 Q06710 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 2/20 0.32
ACACB O00763 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
THRB P10828 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
SCHEMBL12995037 0.95 MEN1 (0.35) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL14468067 0.90 MEN1 (0.35) MEN1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL12995230 0.89 MEN1 (0.35) MEN1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL12995231 0.89 MEN1 (0.35) MEN1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL980883 0.88 MEN1 (0.37) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL12104514 0.88 MEN1 (0.37) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL12995229 0.88 S1PR3 (0.34) ACACB
SCHEMBL12105794 0.87 MEN1 (0.39) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL12995234 0.87 MEN1 (0.36) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL12995267 0.87 MEN1 (0.39) MEN1KMT2ASMN1; SMN2MAPTLMNA

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 5 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-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

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 MEN1 4800/4885KMT2A 4464/4885SMN1; SMN2 3609/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MEN1 4800/4885KMT2A 4464/4885SMN1; SMN2 3609/4885

“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.