SCHEMBL15840672

SCHEMBL15840672

CCCCc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
FFAR1 O14842 1/20 0.63
FFAR4 Q5NUL3 1/20 0.63
LMNA P02545 3/20 0.60
MAPT P10636 2/20 0.60
GHSR Q92847 3/20 0.59
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 2/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
LIMK1 P53667 1/20 0.53
LIMK2 P53671 1/20 0.53

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
SCHEMBL15840654 0.89 PPIA (0.63) ALDH1A1FFAR1FFAR4LMNAMAPT
SCHEMBL15840815 0.87 ALDH1A1 (0.76) ALDH1A1LMNAMAPTGHSRKMT2A
Water SCHEMBL27650777 0.87 FFAR1 (0.72) ALDH1A1FFAR1FFAR4LMNAGHSR
SCHEMBL28219031 0.86 FFAR1 (0.74) ALDH1A1FFAR1FFAR4LMNAMAPT
SCHEMBL6684707 0.85 ALDH1A1 (0.72) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL3396831 0.84 ALDH1A1 (0.85) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL11891712 0.83 FFAR1 (0.66) ALDH1A1FFAR1FFAR4GHSRKMT2A
SCHEMBL31681351 0.81 FFAR4 (0.81) FFAR1FFAR4LMNAMAPTGHSR
SCHEMBL7173225 0.80 FFAR1 (0.74) FFAR1FFAR4LMNAGHSRSMN1; SMN2
SCHEMBL11027242 0.80 FFAR1 (0.66) ALDH1A1FFAR1FFAR4LMNAGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 ALDH1A1 4348/4885FFAR1 2431/4885FFAR4 2513/4885

“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.