SCHEMBL3846863

SCHEMBL3846863

COC(=O)[C@H](N)Cc1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
PTGS2 P35354 1/20 0.32
LTA4H P09960 4/20 0.32
KIF11 P52732 1/20 0.32
CYP3A4 P08684 1/20 0.30
SLC7A5 Q01650 1/20 0.30
MAP3K7 O43318 1/20 0.30
TAB1 Q15750 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
SCHEMBL262238 1.00 ALDH1A1 (0.36) ALDH1A1PTGS2LTA4HKIF11CYP3A4
SCHEMBL833709 1.00 ALDH1A1 (0.36) ALDH1A1PTGS2LTA4HKIF11CYP3A4
Selenium SCHEMBL30525936 0.98 ALDH1A1 (0.35) ALDH1A1PTGS2LTA4HKIF11
Hydrochloric Acid SCHEMBL852606 0.98 ALDH1A1 (0.38) ALDH1A1PTGS2LTA4HKIF11
Hydrochloric Acid SCHEMBL9081237 0.98 ALDH1A1 (0.38) ALDH1A1PTGS2LTA4HKIF11
Hydrochloric Acid SCHEMBL940526 0.98 ALDH1A1 (0.38) ALDH1A1PTGS2LTA4HKIF11
Hydrochloric Acid SCHEMBL4389612 0.98 ALDH1A1 (0.38) ALDH1A1PTGS2LTA4HKIF11
Hydrochloric Acid SCHEMBL1375315 0.98 ALDH1A1 (0.38) ALDH1A1PTGS2LTA4HKIF11
Hydrochloric Acid SCHEMBL703118 0.98 ALDH1A1 (0.38) ALDH1A1PTGS2LTA4HKIF11
SCHEMBL2824144 0.96 ALDH1A1 (0.34) ALDH1A1PTGS2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017180535-A1 CHIRAL PEPTIDES CARNOT, LLC (US) 2017-10-19 WO disclosed
WO-2011107948-A2 LIGANDS OF INSULIN DEGRADING ENZYME AND THEIR USES UNIVERSITE LILLE 2 DROIT ET SANTE (FR) 2011-09-09 WO disclosed
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed
US-6949577-B2 Pharmaceuticals PFIZER, INC. (US) 2005-09-27 US disclosed
EP-1572065-A2 METHOD AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF MULTIPLE SCLEROSIS Rappaport Family Institute for Research in the Medical Sciences (IL) 2005-09-14 EP disclosed
US-20030236420-A1 Pharmaceuticals ALLERTON CHARLOTTE MOIRA NORFO (GB) 2003-12-25 US disclosed
EP-1311488-A1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS Pfizer Limited (GB) 2003-05-21 EP disclosed
WO-2002098346-A2 METHOD AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF MULTIPLE SCLEROSIS RAPPAPORT FAMILY INSTITUTE FOR RESEARCH IN THE MEDICAL SCIENCES (IL) 2002-12-12 WO disclosed
US-20020147229-A1 Pharmaceuticals PFIZER INC. 2002-10-10 US disclosed
WO-2002014285-A1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LIMITED (GB) 2002-02-21 WO disclosed
US-4937352-A REACTING HISTIDINE DERIVATIVE WITH PHOSGENE, ALKYLATING, HYDROLYZING SCHERING AKTIENGESELLSCHAFT (DE) 1990-06-26 US disclosed
US-4772721-A INTERMEDIATES FOR PROTEINS, ENZYMES DIAMALT AG (DE) 1988-09-20 US disclosed
EP-0129254-A2 Process for the preparation of N-tau-substituted histidine derivatives, the N-tau-substituted histidine derivatives and their use DIAMALT AKTIENGESELLSCHAFT (DE) 1984-12-27 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-20020147229-A1 Pharmaceuticals BDKRB1, TFPI, BDKRB2 ALDH1A1 1013/4885PTGS2 781/4885LTA4H 109/4885
US-20030236420-A1 Pharmaceuticals BDKRB1, TFPI, SERPINE1 ALDH1A1 1449/4885PTGS2 655/4885LTA4H 101/4885

“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.