SCHEMBL5605327

SCHEMBL5605327

C=CCNC(C)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 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
SCHEMBL30998824 1.00 CA14 (0.42) CA14MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL10456801 0.84 ALDH1A1 (0.44) TSHRSMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL7766998 0.84 ALDH1A1 (0.44) TSHRSMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL7424429 0.81 CA12 (0.35) CA14TSHRSMN1; SMN2MAPT
SCHEMBL7418144 0.81 CA12 (0.35) CA14TSHRSMN1; SMN2MAPT
SCHEMBL11691480 0.81
SCHEMBL3205794 0.81
Hydrochloric Acid SCHEMBL28264794 0.79 TSHR (0.35) KMT2ATSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL253527 0.78
SCHEMBL725364 0.78

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
EP-1064254-B1 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIV SASKATCHEWAN (CA) 2007-10-17 EP disclosed
US-6984754-B1 Aliphatic amino carboxylic and amino phosphonic acids amino nitriles and amino tetrazoles as cellular rescue agents UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 2006-01-10 US disclosed
US-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 2005-07-21 US disclosed
EP-0711813-B1 Antifouling coating composition HITACHI CHEMICAL CO LTD (JP) 2001-07-25 EP disclosed
US-6231688-B1 BATH CONTAINING AQUEOUS SOLUTION HENKEL CORPORATION 2001-05-15 US disclosed
EP-1064254-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS University of Saskatchewan Technologies Inc. (CA) 2001-01-03 EP disclosed
WO-1999048858-A2 ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 1999-09-30 WO disclosed
US-5773508-A BIODEGRADABLE POLYMER OF ADDITION COPOLYMERS FOR PROTECTIVE COATINGS HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-06-30 US disclosed
WO-1997020964-A1 COMPOSITION AND PROCESS FOR ZINC PHOSPHATE CONVERSION COATING HENKEL CORPORATION (US) 1997-06-12 WO disclosed
EP-0711813-A2 Coating varnish composition and antifouling coating composition Hitachi Chemical Co., Ltd. (JP) 1996-05-15 EP disclosed
CN-88101653-A L-aspartyl-the 3-(bicyclic alkyl) of high sugariness-L-L-Ala alkyl ester 1988-10-26 CN disclosed
US-4753957-A Substituted 2,4-imidazolidinediones and fungicidal compositions ROHM AND HAAS COMPANY (US) 1988-06-28 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-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents CHAMP1, PYCR1, PRMT5 CA14 2550/4885MEN1 1622/4885KMT2A 3371/4885

“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.