SCHEMBL12173176

SCHEMBL12173176

Cc1cccc(COc2ccc(NC(=O)C3=C(C(=O)O)SCCS3)cc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 6/20 0.53
▸ NR1H4 Q96RI1 2/20 0.48
▸ LRRK2 Q5S007 1/20 0.47
▸ DHODH Q02127 2/20 0.46
▸ ACP1 P24666 1/20 0.46
▸ PTPN12 Q05209 1/20 0.46
▸ PTPN13 Q12923 1/20 0.46
▸ SSU72 Q9NP77 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ EGFR P00533 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL12835017 0.86 MRGPRX4 (0.61) MRGPRX4LRRK2
SCHEMBL12173124 0.82 MEN1 (0.59) MRGPRX4NR1H4LRRK2ACP1PTPN12
SCHEMBL12173118 0.81 MRGPRX4 (0.55) MRGPRX4NR1H4LRRK2DHODHACP1
SCHEMBL12173117 0.80 MEN1 (0.54) MRGPRX4NR1H4LRRK2DHODHACP1
SCHEMBL12173126 0.80 MRGPRX4 (0.53) MRGPRX4NR1H4LRRK2DHODHACP1
SCHEMBL12173159 0.78 MRGPRX4 (0.52) MRGPRX4NR1H4LRRK2ACP1PTPN12
SCHEMBL12173160 0.77 LRRK2 (0.54) MRGPRX4NR1H4LRRK2MEN1KMT2A
SCHEMBL12173161 0.75 MEN1 (0.53) MRGPRX4LRRK2MEN1KMT2AEGFR
SCHEMBL12173138 0.75 POLB (0.53) MRGPRX4NR1H4LRRK2MEN1KMT2A
SCHEMBL18788863 0.71 EGFR (0.61) ACP1PTPN12PTPN13SSU72EGFR

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
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 — — US disclosed
US-8859620-B2 Phthalanilate compounds and methods of use UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-10-14 — — US disclosed
US-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 — — 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 (2 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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 MRGPRX4 2390/4885NR1H4 1960/4885LRRK2 3721/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 MRGPRX4 2390/4885NR1H4 1960/4885LRRK2 3721/4885

“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.

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