SCHEMBL11936748

SCHEMBL11936748

CCc1c(F)c(F)c(F)c(C(=O)O)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
HCAR2 Q8TDS4 2/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
DHODH Q02127 1/20 0.34
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 2/20 0.32
RECQL P46063 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ESR1 P03372 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.30
ALDH1A1 P00352 1/20 0.30
FOLH1 Q04609 1/20 0.30

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
SCHEMBL10981379 0.96 SMN1; SMN2 (0.39) SMN1; SMN2PKMHCAR2MEN1KMT2A
SCHEMBL23609662 0.91 HCAR2 (0.38) SMN1; SMN2PKMHCAR2MEN1KMT2A
SCHEMBL29926635 0.89 SMN1; SMN2 (0.42) SMN1; SMN2PKMHCAR2MEN1KMT2A
SCHEMBL7862999 0.89 SMN1; SMN2 (0.42) SMN1; SMN2PKMHCAR2MEN1KMT2A
SCHEMBL25783987 0.82 SMN1; SMN2 (0.38) SMN1; SMN2PKMHCAR2MEN1KMT2A
SCHEMBL22408578 0.82 SMN1; SMN2 (0.38) SMN1; SMN2PKMHCAR2MEN1KMT2A
SCHEMBL6585751 0.81 PKM (0.36) SMN1; SMN2PKMHTTRECQLCES2
Alcohol SCHEMBL27681766 0.79 SMN1; SMN2 (0.45) SMN1; SMN2PKMHCAR2MEN1KMT2A
Alcohol SCHEMBL29191762 0.79 SMN1; SMN2 (0.43) SMN1; SMN2PKMHCAR2MEN1KMT2A
SCHEMBL10991925 0.78 LDHA (0.42) SMN1; SMN2PKMHCAR2MEN1KMT2A

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-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-09-13 US disclosed
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 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 (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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 SMN1; SMN2 877/4885PKM 987/4885HCAR2 1234/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 SMN1; SMN2 877/4885PKM 987/4885HCAR2 1234/4885
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 SMN1; SMN2 877/4885PKM 987/4885HCAR2 1234/4885

“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.