SCHEMBL16652113

SCHEMBL16652113

O=c1[nH]cc(-c2ccc(C(F)(F)F)cc2)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.44
DAO P14920 3/20 0.42
COMT P21964 1/20 0.42
NOTUM Q6P988 1/20 0.41
MAPT P10636 1/20 0.41
CYP19A1 P11511 1/20 0.41
TSHR P16473 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
HTT P42858 1/20 0.41
HBB P68871 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TNKS O95271 6/20 0.40
TNKS2 Q9H2K2 5/20 0.40
WNT3A P56704 4/20 0.40
PARP1 P09874 4/20 0.38
TYMS P04818 1/20 0.38
KIF11 P52732 1/20 0.38

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
SCHEMBL23772148 0.83 ALDH1A1 (0.61) ALDH1A1LMNANOTUMMAPTCYP19A1
SCHEMBL16652924 0.80 ALDH1A1 (0.67) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL16653102 0.77 ALDH1A1 (0.67) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL29809206 0.77 ALDH1A1 (0.67) ALDH1A1LMNADAOMAPTCYP19A1
SCHEMBL5801644 0.72 ALDH1A1 (0.64) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL6551744 0.71 KIF11 (0.45) DAOCOMTNOTUMMAPTTNKS
SCHEMBL14466718 0.70 ALDH1A1 (0.57) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL8354646 0.70 MAPK14 (0.53) ALDH1A1COMTNOTUMTNKSTNKS2
SCHEMBL23796387 0.69 IMPDH2 (0.44) DAOTNKSPARP1
SCHEMBL30290070 0.69 IMPDH2 (0.44) DAOTNKSPARP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875006-B1 ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2018-12-26 EP disclosed
US-9428465-B2 Acid ceramidase inhibitors and their use as medicaments FONDAZIONE ISTITUTO ITALIANO DI TECHNOLOGIA (IT) 2016-08-30 US disclosed
US-20150111892-A1 ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-23 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 (1 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-20150111892-A1 ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS ASAH1, ASAH2, ACER2 ALDH1A1 641/4885LMNA 2167/4885DAO 2054/4885

“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.