SCHEMBL836832

SCHEMBL836832

CCCOC(=O)[C@@H]1N[C@H]1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.40
PTPN1 P18031 1/20 0.40
PPP1CC P36873 1/20 0.40
HCAR2 Q8TDS4 1/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL10938885 0.82
SCHEMBL14969550 0.82
SCHEMBL10370280 0.75 KDM4E (0.39) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL28609477 0.72 PPM1B (0.46) PPM1BPTPN1PPP1CCHCAR2ALDH1A1
SCHEMBL10410146 0.71 PPM1B (0.36) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL1297333 0.70 PPM1B (0.47) PPM1BPTPN1PPP1CCHCAR2ALDH1A1
SCHEMBL10369260 0.70 PPM1B (0.41) PPM1BPTPN1PPP1CCHCAR2ALDH1A1
SCHEMBL836017 0.70
SCHEMBL28408945 0.70 PPM1B (0.40) PPM1BPTPN1PPP1CCHCAR2ALDH1A1
SCHEMBL298981 0.70 L3MBTL1 (0.44) PPM1BPTPN1PPP1CCALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143375-B2 Aziridine aldehydes, aziridine-conjugated amino derivatives, aziridine-conjugated biomolecules and processes for their preparation THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-03-27 US disclosed
US-8143375-B2 Aziridine aldehydes, aziridine-conjugated amino derivatives, aziridine-conjugated biomolecules and processes for their preparation THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-03-27 US disclosed
US-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION ZEALAND PHARMA A/S (DK) 2010-12-16 US disclosed
US-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION ZEALAND PHARMA A/S (DK) 2010-12-16 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-20100317832-A1 AZIRIDINE ALDEHYDES, AZIRIDINE-CONJUGATED AMINO DERIVATIVES, AZIRIDINE-CONJUGATED BIOMOLECULES AND PROCESSES FOR THEIR PREPARATION QDPR, VIP, AAAS PPM1B 1577/4885PTPN1 3523/4885PPP1CC 3709/4885

“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.