SCHEMBL12189656

SCHEMBL12189656

O=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc([S+]([O-])c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR27 Q9NS67 3/20 0.50
▸ SORT1 Q99523 2/20 0.49
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ SMO Q99835 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44

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
SCHEMBL12189657 0.87 TMPRSS4 (0.53) GPR27MEN1KMT2AALDH1A1NPC1
SCHEMBL12189480 0.84 ALDH1A1 (0.67) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL24733339 0.84 ALDH1A1 (0.65) GPR27SORT1MEN1KMT2ASMO
SCHEMBL12189620 0.81 MEN1 (0.63) GPR27SORT1MEN1KMT2ASMO
SCHEMBL12189443 0.81 SMO (0.67) GPR27SORT1MEN1KMT2ASMO
SCHEMBL16426271 0.80 LMNA (0.65) GPR27MEN1KMT2AALDH1A1MAPT
SCHEMBL12700212 0.79 SORT1 (0.58) SORT1MEN1KMT2AALDH1A1NPC1
SCHEMBL12189648 0.79 RAB9A (0.61) GPR27SORT1MEN1KMT2ASMO
SCHEMBL11887699 0.78 SORT1 (0.57) GPR27SORT1MEN1KMT2ASMO
SCHEMBL12189584 0.78 PRSS12 (0.55) GPR27SORT1MEN1KMT2ASMO

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 GPR27 4309/4885SORT1 3865/4885MEN1 2365/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 GPR27 4309/4885SORT1 3865/4885MEN1 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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