SCHEMBL16355696

SCHEMBL16355696

CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
EPHX2 P34913 2/20 0.43
NR1H4 Q96RI1 2/20 0.43
CYP17A1 P05093 2/20 0.43
NAMPT P43490 1/20 0.40
FAAH O00519 1/20 0.39
PTPN11 Q06124 1/20 0.38
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
MAPKAPK2 P49137 1/20 0.38
PSMB8 P28062 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL15876021 1.00 MAPT (0.47) MAPTEPHX2NR1H4CYP17A1NAMPT
SCHEMBL20143603 1.00 MAPT (0.47) MAPTEPHX2NR1H4CYP17A1NAMPT
SCHEMBL30182358 0.90 NAMPT (0.51) MAPTCYP17A1NAMPTRAB9ASMN1; SMN2
SCHEMBL16355697 0.90 MEN1 (0.47) MAPTCYP17A1PTPN11ALDH1A1KMT2A
SCHEMBL14155353 0.89 CYP17A1 (0.48) NR1H4CYP17A1NAMPTPTPN11MAPKAPK2
SCHEMBL10092627 0.89 CYP17A1 (0.48) NR1H4CYP17A1NAMPTPTPN11MAPKAPK2
SCHEMBL30725576 0.88 SMN1; SMN2 (0.43) MAPTCYP17A1NAMPTMAPKAPK2PSMB8
SCHEMBL3785111 0.88 CTSK (0.41) NR1H4CYP17A1NAMPTPTPN11CA12
SCHEMBL13785635 0.88 CTSK (0.41) NR1H4CYP17A1NAMPTPTPN11CA12
SCHEMBL3785113 0.88 CTSK (0.41) NR1H4CYP17A1NAMPTPTPN11CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11465965-B2 Double-headed protease inhibitor UBE INDUSTRIES, LTD. (JP) 2022-10-11 US disclosed
US-20220281866-A1 5,8-DISUBSTITUTED-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL AND 5,8-DISUBSTITUTED-IMIDAZO[1,2-A]PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ENTEROPEPTIDASE JANSSEN PHARMACEUTICA NV (BE) 2022-09-08 US disclosed
US-20210403420-A1 BENZOATE COMPOUND SCOHIA PHARMA, INC. (JP) 2021-12-30 US disclosed
WO-2021013742-A1 5,8-DISUBSTITUTED-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL AND 5,8-DISUBSTITUTED-IMIDAZO[1,2-A]PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ENTEROPEPTIDASE JANSSEN PHARMACEUTICA NV (BE) 2021-01-28 WO disclosed
US-20200347011-A1 DOUBLE-HEADED PROTEASE INHIBITOR UBE INDUSTRIES, LTD. (JP) 2020-11-05 US disclosed
EP-3705471-A1 DOUBLE-HEADED PROTEASE INHIBITOR UBE Industries, Ltd. (JP) 2020-09-09 EP disclosed
EP-3705471-A1 DOUBLE-HEADED PROTEASE INHIBITOR UBE Industries, Ltd. (JP) 2020-09-09 EP disclosed
EP-3650440-A1 BENZOIC ESTER COMPOUND Scohia Pharma, Inc. (JP) 2020-05-13 EP disclosed
US-9969709-B2 Guanidinobenzoic acid ester compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-15 US disclosed
US-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND ASTELLAS PHARMA INC. (JP) 2016-02-04 US disclosed
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 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 (6 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-20200347011-A1 DOUBLE-HEADED PROTEASE INHIBITOR TMPRSS15, SPINT2, PRSS2 MAPT 2861/4885EPHX2 439/4885NR1H4 1119/4885
US-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND SERPINB1, REN, SPINT2 MAPT 2721/4885EPHX2 1108/4885NR1H4 241/4885
US-20220281866-A1 5,8-DISUBSTITUTED-[1,2,4]TRIAZOLO[1,5-A]PYRIDINYL AND 5,8-DISUBSTITUTED-IMIDAZO[1,2-A]PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ENTEROPEPTIDASE TMPRSS15, DPP8, SI MAPT 2544/4885EPHX2 519/4885NR1H4 231/4885
US-20210403420-A1 BENZOATE COMPOUND TMPRSS15, DPP4, DPP3 MAPT 3791/4885EPHX2 741/4885NR1H4 341/4885
US-11465965-B2 Double-headed protease inhibitor TMPRSS15, SPINT2, PRSS2 MAPT 2861/4885EPHX2 439/4885NR1H4 1119/4885
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 MAPT 1339/4885EPHX2 1224/4885NR1H4 172/4885

“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.