SCHEMBL19984916

SCHEMBL19984916

Cc1c(Cl)cc(S(=O)(=O)O)cc1NC(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 2/20 0.49
▸ LIPE Q05469 4/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PRSS1 P07477 1/20 0.39
▸ ACR P10323 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL19984947 0.90 CASR (0.52) CASRMEN1KMT2AGAAKDM4E
SCHEMBL19985030 0.86 GAA (0.49) CASRKMT2AGAAALDH1A1
SCHEMBL14606515 0.75 KMT2A (0.52) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL177362 0.71 CASR (0.69) CASRALDH1A1
SCHEMBL31141927 0.71 KMT2A (0.45) LIPEMEN1KMT2AGAAKDM4E
SCHEMBL14471612 0.70 CASR (0.60) CASRALDH1A1
SCHEMBL14471690 0.69 CASR (0.79) CASR
SCHEMBL29042399 0.69 CASR (0.79) CASR
SCHEMBL8636120 0.69 CASR (0.47) CASRMEN1KMT2AGAAALDH1A1
SCHEMBL14617498 0.68 CASR (0.58) CASR

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 1/4885LIPE 2871/4885MEN1 1606/4885

“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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