SCHEMBL460593

SCHEMBL460593

C=CCN(CC=C)C([O])C=C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2650154 0.72 MEN1 (0.32) ALDH1A1
SCHEMBL2578714 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10525369 0.69
SCHEMBL3305710 0.67
SCHEMBL526564 0.67 ALDH1A1 (0.31) ALDH1A1
SCHEMBL16036122 0.67
SCHEMBL476033 0.67
SCHEMBL3002382 0.67
SCHEMBL3261337 0.67
SCHEMBL6057564 0.67

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358250-B2 Pyrrolo[2,3-d]pyrimidines that modulate ACK1 activity AMGEN INC. (US) 2008-04-15 US claimed
EP-1865968-A2 TOPICAL FORMULATIONS OF BORINIC ACID ANTIBODIES AND THEIR METHODS OF USE Anacor Pharmaceuticals, Inc. (US) 2007-12-19 EP claimed
EP-1768982-A2 PYROLO [2,3-D] PYRIMIDINES THAT MODULATE ACK1 AND LCK ACTIVITY Amgen Inc. (US) 2007-04-04 EP claimed
US-20060217347-A1 Topical formulations of borinic acid antibiotics and their methods of use ANACOR PHARMACEUTICALS, INC. 2006-09-28 US claimed
WO-2006102604-A2 TOPICAL FORMULATIONS OF BORINIC ACID ANTIBODIES AND THEIR METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2006-09-28 WO claimed
US-20060040965-A1 Pyrrolo[2,3-d]pyrimidines that modulate ACK1 activity AMGEN INC. 2006-02-23 US claimed
WO-2006004703-A2 PYRROLO[2,3-d]PYRIMIDINES THAT MODULATE ACK1 AND LCK ACTIVITY AMGEN INC. (US) 2006-01-12 WO claimed
EP-2437854-B1 COMPOSITIONS COMPRISING BORINIC ESTERS COLGATE PALMOLIVE CO (US) 2018-08-08 EP disclosed
US-8852559-B2 Borinic compositions COLGATE-PALMOLIVE COMPANY (US) 2014-10-07 US disclosed
EP-2437855-A2 BORINIC COMPOSITIONS Colgate-Palmolive Company (US) 2012-04-11 EP disclosed
EP-2437854-A2 BORINIC COMPOSITIONS Colgate-Palmolive Company (US) 2012-04-11 EP disclosed
US-20120064017-A1 BORINIC COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2012-03-15 US disclosed
US-20120052025-A1 BORINIC COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2012-03-01 US disclosed
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
EP-1768982-A2 PYROLO [2,3-D] PYRIMIDINES THAT MODULATE ACK1 AND LCK ACTIVITY Amgen Inc. (US) 2007-04-04 EP disclosed
US-20060217347-A1 Topical formulations of borinic acid antibiotics and their methods of use ANACOR PHARMACEUTICALS, INC. 2006-09-28 US disclosed
WO-2006102604-A2 TOPICAL FORMULATIONS OF BORINIC ACID ANTIBODIES AND THEIR METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2006-09-28 WO disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO disclosed
US-20060040965-A1 Pyrrolo[2,3-d]pyrimidines that modulate ACK1 activity AMGEN INC. 2006-02-23 US disclosed
WO-2006004703-A2 PYRROLO[2,3-d]PYRIMIDINES THAT MODULATE ACK1 AND LCK ACTIVITY AMGEN INC. (US) 2006-01-12 WO 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 (4 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-20060040965-A1 Pyrrolo[2,3-d]pyrimidines that modulate ACK1 activity LCK, ADCK1, DCK ALDH1A1 4270/4885
US-20060217347-A1 Topical formulations of borinic acid antibiotics and their methods of use CUTA, BROX, BTD ALDH1A1 1150/4885
US-20120064017-A1 BORINIC COMPOSITIONS BACH1, FHIT, BPNT1 ALDH1A1 4175/4885
US-20120052025-A1 BORINIC COMPOSITIONS CCL11, BDKRB2, BTD ALDH1A1 2703/4885

“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.