SCHEMBL12189657

SCHEMBL12189657

O=C(O)c1ccc(Cl)cc1C(=O)Nc1ccc([S+]([O-])c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 1/20 0.53
▸ MAPT P10636 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ GPR27 Q9NS67 7/20 0.49
▸ AVPR2 P30518 3/20 0.49
▸ P2RX1 P51575 2/20 0.49
▸ GRIK1 P39086 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL12189656 0.87 GPR27 (0.50) MAPTMEN1KMT2ACYP2C19GPR27
SCHEMBL12189480 0.85 ALDH1A1 (0.67) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL16426276 0.82 TMPRSS4 (0.64) TMPRSS4MAPTMEN1KMT2ACYP2C19
SCHEMBL12189469 0.82 GRIK1 (0.67) TMPRSS4MAPTMEN1KMT2ACYP2C19
SCHEMBL12189486 0.81 GPR27 (0.59) TMPRSS4MAPTMEN1KMT2ACYP2C19
SCHEMBL12189613 0.80 SERPINE1 (0.65) TMPRSS4MAPTMEN1KMT2ACYP2C19
SCHEMBL12189680 0.79 TMPRSS4 (0.56) TMPRSS4MAPTMEN1KMT2ACYP2C19
SCHEMBL3787204 0.79 TMPRSS4 (0.76) TMPRSS4MAPTMEN1KMT2ACYP2C19
SCHEMBL16167997 0.77 P2RX1 (0.55) TMPRSS4MAPTMEN1KMT2ACYP2C19
SCHEMBL7820643 0.76 ALDH1A1 (0.76) TMPRSS4MAPTMEN1KMT2ACYP2C19

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 TMPRSS4 2260/4885MAPT 2792/4885MEN1 2365/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 TMPRSS4 2260/4885MAPT 2792/4885MEN1 2365/4885

“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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