SCHEMBL19985019

SCHEMBL19985019

O=C(Nc1cc(Cl)cc(S(=O)(=O)O)c1O)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.50
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
ACLY P53396 1/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.41
MAOB P27338 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4351484 0.82 MEN1 (0.54) MEN1KMT2ATRPV1ACLYKDM4E
SCHEMBL3206476 0.78 KMT2A (0.50) MEN1KMT2ATRPV1KDM4EALDH1A1
SCHEMBL14471728 0.77 CASR (0.63) CASRACLY
SCHEMBL14471729 0.77 CASR (0.63) CASRACLY
SCHEMBL14471777 0.76 CASR (0.66) CASRACLY
SCHEMBL14471779 0.76 CASR (0.66) CASRACLY
SCHEMBL17669889 0.73 CASR (0.55) CASRACLYKDM4EALDH1A1HPGD
SCHEMBL14877427 0.73 CASR (0.67) CASR
SCHEMBL6005143 0.73 CASR (0.67) CASR
SCHEMBL14606515 0.73 KMT2A (0.52) MEN1KMT2ATRPV1KDM4EALDH1A1

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
EP-3305760-A1 METHOD FOR PRODUCING ALKYLAMINE DERIVATIVE AND PRODUCTION INTERMEDIATE OF ALKYLAMINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2018-04-11 EP disclosed
US-20180079715-A1 METHOD FOR PRODUCING ALKYLAMINE DERIVATIVE AND ITS PRODUCTION INTERMEDIATE OF ALKYLAMINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2018-03-22 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-20180079715-A1 METHOD FOR PRODUCING ALKYLAMINE DERIVATIVE AND ITS PRODUCTION INTERMEDIATE OF ALKYLAMINE DERIVATIVE CASR, TAAR1, UTS2R CASR 1/4885MEN1 1606/4885KMT2A 2343/4885

“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.