SCHEMBL16167997

SCHEMBL16167997

O=C(O)c1ccc(Cl)cc1C(=O)Nc1ccc([SH](=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 3/20 0.55
▸ TMPRSS4 Q9NRS4 3/20 0.52
▸ GRIK1 P39086 6/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ JAK2 O60674 2/20 0.48
▸ JAK1 P23458 2/20 0.48
▸ TYK2 P29597 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ P2RX4 Q99571 1/20 0.47
▸ P2RX7 Q99572 1/20 0.47
▸ AVPR2 P30518 1/20 0.47
▸ GPR27 Q9NS67 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ KLKB1 P03952 1/20 0.47
▸ KCNMA1 Q12791 1/20 0.47

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
SCHEMBL16167968 0.85 SORT1 (0.55) P2RX1MEN1MAPTKMT2AALDH1A1
SCHEMBL12189469 0.82 GRIK1 (0.67) P2RX1TMPRSS4GRIK1MEN1MAPT
SCHEMBL16426276 0.82 TMPRSS4 (0.64) P2RX1TMPRSS4GRIK1MEN1MAPT
SCHEMBL18132546 0.80 TMPRSS4 (0.73) P2RX1TMPRSS4GRIK1MEN1MAPT
SCHEMBL12189613 0.80 SERPINE1 (0.65) P2RX1TMPRSS4GRIK1MEN1MAPT
SCHEMBL16167971 0.80 ALDH1A1 (0.73) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL12189680 0.79 TMPRSS4 (0.56) P2RX1TMPRSS4GRIK1MEN1MAPT
SCHEMBL12189486 0.78 GPR27 (0.59) TMPRSS4MEN1MAPTCYP2C19KMT2A
SCHEMBL3787204 0.78 TMPRSS4 (0.76) P2RX1TMPRSS4GRIK1MEN1MAPT
SCHEMBL12189657 0.77 TMPRSS4 (0.53) P2RX1TMPRSS4GRIK1MEN1MAPT

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 2 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

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-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 P2RX1 626/4885TMPRSS4 2260/4885GRIK1 1797/4885

“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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