SCHEMBL2964176

SCHEMBL2964176

CS(=O)(=O)N(c1cc(Cl)c(C(=O)O)c(Cl)c1)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 1/20 0.36
DPP4 P27487 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL7690653 0.77 SMN1; SMN2 (0.50) SMN1; SMN2LMNAKMT2AALDH1A1RAB9A
SCHEMBL2962874 0.70 EPHX2 (0.46) SMN1; SMN2LMNAALDH1A1HSD17B10MAPK1
SCHEMBL13602153 0.70 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1RAB9A
SCHEMBL321080 0.69 TPMT (0.48) SMN1; SMN2LMNAKMT2AALDH1A1DPP4
SCHEMBL111202 0.68 AKR1C4 (0.54) SMN1; SMN2LMNAKMT2AALDH1A1DPP4
SCHEMBL8827322 0.68 DPP4 (0.46) SMN1; SMN2ALDH1A1DPP4KDM4EHSD17B10
SCHEMBL7689229 0.67 RAB9A (0.46) SMN1; SMN2LMNAKMT2AALDH1A1RAB9A
SCHEMBL6125794 0.67 TSHR (0.50) SMN1; SMN2KMT2AALDH1A1RAB9ACA12
SCHEMBL27996677 0.67 RXRA (0.34) SMN1; SMN2LMNAALDH1A1DPP4KDM4E
SCHEMBL5878784 0.66 AKR1C4 (0.52) SMN1; SMN2LMNAKMT2AALDH1A1DPP4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759388-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2010-07-20 US disclosed
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO. INC (JP) 2009-02-19 US disclosed
US-7452905-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-11-18 US disclosed
EP-1323711-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2006-11-15 EP disclosed
US-20030220318-A1 New phenylalanine derivatives AJINOMOTO CO. INC (JP) 2003-11-27 US disclosed
EP-1323711-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2003-07-02 EP 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-20030220318-A1 New phenylalanine derivatives VCAM1, PAH, ICAM1 SMN1; SMN2 2570/4885LMNA 3772/4885KMT2A 2023/4885
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, VCAM1, ITGA4 SMN1; SMN2 3291/4885LMNA 3883/4885KMT2A 2141/4885

“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.