SCHEMBL19971763

SCHEMBL19971763

NC(CNC(=O)Nc1cccc(S(=O)(=O)O)c1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASR P41180 15/20 1.00
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL30143456 1.00 CASR (1.00) CASRCA12CA1CA2CA9
SCHEMBL12329176 1.00 CASR (1.00) CASRCA12CA1CA2CA9
SCHEMBL27877771 0.88 CASR (0.78) CASRCA12CA1CA2CA9
SCHEMBL14471696 0.88 CASR (0.78) CASRCA12CA1CA2CA9
SCHEMBL14471789 0.86 CASR (0.76) CASRCA12CA1CA2CA9
SCHEMBL5082528 0.80 CASR (0.71) CASR
SCHEMBL5082519 0.80 CASR (0.71) CASR
SCHEMBL12329822 0.80 CASR (1.00) CASR
SCHEMBL6004419 0.80 CASR (0.66) CASRCA1CA2
SCHEMBL11613830 0.80 CASR (0.66) CASRCA1CA2

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
CN-116332809-A Process for producing alkylamine derivative and intermediate for production thereof 味之素株式会社 2023-06-27 CN disclosed
CN-115536556-A Process for producing alkylamine derivative and intermediate for producing the same 味之素株式会社 2022-12-30 CN disclosed
EP-3305760-A1 METHOD FOR PRODUCING ALKYLAMINE DERIVATIVE AND PRODUCTION INTERMEDIATE OF ALKYLAMINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2018-04-11 EP disclosed
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
CN-103951615-B Alkylamine derivative EA制药株式会社 2017-04-12 CN 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 1/4885CA12 3645/4885CA1 3087/4885

“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.