SCHEMBL3977924

SCHEMBL3977924

N=C(N)NCCC[CH]C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
ALB P02768 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
SCHEMBL3514889 0.86 ALOX15 (0.42) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3603087 0.81 ALOX15 (0.39) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL10772553 0.80 ALOX15 (0.44) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Bicarbonate SCHEMBL9192764 0.78 ALOX15 (0.48) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL261594 0.77
SCHEMBL6085112 0.77 HDAC3 (0.40) KMT2ASMN1; SMN2
SCHEMBL6135863 0.75 ALOX15 (0.35) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL9772166 0.74 ALOX15 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL9772165 0.74 ALOX15 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL8411403 0.74 MEN1 (0.43) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104262267-A Modulators Of The Prostacyclin (pgi2) Receptor Useful For The Treatment Of Disorders Related Thereto ARENA PHARM INC 2015-01-07 CN claimed
US-6660858-B2 Made by reacting a benzoxazole with a leaving group at the 2 position and a diamine of given formula LION BIOSCIENCE AG (DE) 2003-12-09 US claimed
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG (DE) 2002-10-31 US claimed
WO-2002079753-A2 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-10 WO claimed
CN-104262267-A Modulators Of The Prostacyclin (pgi2) Receptor Useful For The Treatment Of Disorders Related Thereto ARENA PHARM INC 2015-01-07 CN disclosed
US-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-10-22 US disclosed
WO-2009093009-A1 FUSED TRICYCLIC THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-07-30 WO disclosed
WO-2009093013-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-07-30 WO disclosed
EP-2054417-A2 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB Pharma S.A. (BE) 2009-05-06 EP disclosed
WO-2008020206-A2 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2008-02-21 WO disclosed
US-6660858-B2 Made by reacting a benzoxazole with a leaving group at the 2 position and a diamine of given formula LION BIOSCIENCE AG (DE) 2003-12-09 US disclosed
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG (DE) 2002-10-31 US disclosed
WO-2002079753-A2 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-10 WO disclosed
EP-0228192-A2 Renin-inhibitory oligopeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-07-08 EP disclosed
EP-0074787-B1 RENALLY ACTIVE DIPEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1985-03-27 EP disclosed
US-4448972-A Adamantyl containing intermediates SMITHKLINE BECKMAN CORPORATION (US) 1984-05-15 US disclosed
US-4395401-A Renally active dipeptides SMITHKLINE BECKMAN CORPORATION (US) 1983-07-26 US disclosed
US-4387049-A Adamantyl containing peptides SMITHKLINE BECKMAN CORPORATION (US) 1983-06-07 US disclosed
EP-0074787-A1 Renally active dipeptides SMITHKLINE BECKMAN CORPORATION (US) 1983-03-23 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-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof BCAT2, IL4I1, BCAT1 ALOX15 3738/4885MEN1 2998/4885CYP1A2 351/4885
US-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS MAPK15, MOK, MAPK14 ALOX15 728/4885MEN1 1220/4885CYP1A2 2113/4885

“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.