SCHEMBL17181731

SCHEMBL17181731

C=CCON(C(=O)CC(=O)OCC)c1ccsc1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
ALDH1A1 P00352 6/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PKM P14618 4/20 0.40
MAPT P10636 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
HPGD P15428 3/20 0.38
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36

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
SCHEMBL2493883 0.78 KMT2A (0.51) KMT2AALDH1A1GAANPSR1KDM4E
SCHEMBL1522389 0.72 ALDH1A1 (0.43) KMT2AALDH1A1GAANPSR1KDM4E
SCHEMBL1522388 0.72 ALDH1A1 (0.43) KMT2AALDH1A1GAANPSR1KDM4E
SCHEMBL4150824 0.71 MAPK8 (0.49) KMT2AALDH1A1GAANPSR1KDM4E
SCHEMBL17181704 0.71 JAK3 (0.41) ALDH1A1GAAKDM4EMAPTCYP1A2
SCHEMBL14208559 0.70 MAPK10 (0.50) KMT2AALDH1A1GAANPSR1KDM4E
SCHEMBL17181711 0.70 PTGS2 (0.40) KMT2AALDH1A1GAANPSR1KDM4E
SCHEMBL4141900 0.68 PKM (0.76) KMT2AALDH1A1GAAPKMMAPT
SCHEMBL17181737 0.66 HPGD (0.52) KMT2AALDH1A1GAANPSR1KDM4E
SCHEMBL22004182 0.63 KMT2A (0.59) KMT2AALDH1A1GAAMAPTCYP1A2

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-2935221-B1 QUINOLONE DERIVATIVES CADILA HEALTHCARE LTD (IN) 2018-02-07 EP disclosed
US-9394300-B2 Quinolone derivatives CADILA HEALTHCARE LIMITED (IN) 2016-07-19 US disclosed
US-20150299193-A1 NOVEL QUINOLONE DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2015-10-22 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-20150299193-A1 NOVEL QUINOLONE DERIVATIVES NQO2, UGT1A1, CYP11B2 KMT2A 4449/4885ALDH1A1 2214/4885GAA 1331/4885

“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.