SCHEMBL16340488

SCHEMBL16340488

C=CCSC(C(N)=O)c1cccc(C(=O)c2ccccc2)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 3/20 0.36
ADORA1 P30542 2/20 0.36
ABCB11 O95342 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
AKR1C3 P42330 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
MAPK14 Q16539 2/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
CCNA2 P20248 1/20 0.33
CCNE1 P24864 1/20 0.33

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
SCHEMBL1569351 0.82 GAA (0.40) MAPTGAALMNAADORA1ABCB11
SCHEMBL30692375 0.80 MAPT (0.45) MAPTGAALMNAADORA1ABCB11
SCHEMBL1569324 0.80 MAPT (0.45) MAPTGAALMNAADORA1ABCB11
SCHEMBL1569323 0.79 MAPT (0.44) MAPTGAALMNAADORA1ABCB11
SCHEMBL11793034 0.78 HSD17B10 (0.38) GAAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL1569026 0.78 MAPT (0.43) MAPTGAALMNAADORA1ABCB11
SCHEMBL11501238 0.76 ALDH1A1 (0.42) MAPTGAALMNAADORA1ABCB11
SCHEMBL10584727 0.73 EPHX1 (0.54) LMNACYP1A2CYP2C19
SCHEMBL12851447 0.72 MAPT (0.49) MAPTGAALMNAADORA1ABCB11
SCHEMBL7529565 0.72 NR4A1 (0.38) MAPTLMNAADORA1ABCB11PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630909-B2 Process for the preparation of nepafenac MYLAN LABORATORIES LTD (IN) 2017-04-25 US disclosed
US-20160214927-A1 Process for the preparation of nepafenac MYLAN LABORATORIES LTD, (IN) 2016-07-28 US disclosed
EP-3013790-A1 PROCESS FOR THE PREPARATION OF NEPAFENAC Mylan Laboratories Ltd. (IN) 2016-05-04 EP disclosed
WO-2014207769-A1 PROCESS FOR THE PREPARATION OF NEPAFENAC MYLAN LABORATORIES LTD (IN) 2014-12-31 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 (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-20160214927-A1 Process for the preparation of nepafenac SCN2B, SCN3A, SCN2A MAPT 1784/4885GAA 1146/4885LMNA 290/4885

“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.