SCHEMBL752723

SCHEMBL752723

CCCCCCCCCCCCCCCC(=O)OCC[C@H](N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.62
NOD1 Q9Y239 1/20 0.61
P2RY10 O00398 11/20 0.60
GPR34 Q9UPC5 5/20 0.60
GPR174 Q9BXC1 3/20 0.53
PAM P19021 2/20 0.53
DNM1 Q05193 1/20 0.53

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
SCHEMBL31374407 1.00 DGKA (0.62) DGKANOD1P2RY10GPR34GPR174
SCHEMBL8578438 0.91 NOD1 (0.69) DGKANOD1P2RY10GPR34GPR174
SCHEMBL8768982 0.90 NOD1 (0.64) DGKANOD1P2RY10GPR34GPR174
SCHEMBL8768987 0.90 NOD1 (0.64) DGKANOD1P2RY10GPR34GPR174
SCHEMBL17537068 0.87 NOD1 (0.64) DGKANOD1P2RY10GPR34
SCHEMBL9005485 0.87 NOD1 (0.64) DGKANOD1P2RY10GPR34
SCHEMBL17537075 0.87 NOD1 (0.64) DGKANOD1P2RY10GPR34
SCHEMBL17010720 0.87 NOD1 (0.64) DGKANOD1P2RY10GPR34
SCHEMBL15260354 0.87 NOD1 (0.64) DGKANOD1P2RY10GPR34
SCHEMBL7351258 0.87 NOD1 (0.64) DGKANOD1P2RY10GPR34

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130316957-A1 SMOOTHENED POLYPEPTIDES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2013-11-28 US disclosed
US-8546524-B2 Smoothened polypeptides and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-10-01 US disclosed
US-20120282196-A1 SMOOTHENED POLYPEPTIDES AND METHODS OF USE THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2012-11-08 US disclosed
US-8198402-B2 Smoothened polypeptides and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-06-12 US disclosed
EP-2431388-A1 Smoothened polypeptides and methods of use Government of the United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2012-03-21 EP disclosed
US-20100093625-A1 SMOOTHENED POLYPEPTIDES AND METHODS OF USE THE U.S.A., AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICE (US) 2010-04-15 US disclosed
EP-2078036-A2 SMOOTHENED POLYPEPTIDES AND METHODS OF USE Government of the United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2009-07-15 EP disclosed
WO-2008070357-A9 SMOOTHENED POLYPEPTIDES AND METHODS OF USE US GOV HEALTH & HUMAN SERV (US) 2008-08-14 WO disclosed
WO-2008070357-A2 SMOOTHENED POLYPEPTIDES AND METHODS OF USE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-06-12 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 (3 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-20100093625-A1 SMOOTHENED POLYPEPTIDES AND METHODS OF USE SMO, SHH, GLI1 DGKA 195/4885NOD1 4225/4885P2RY10 4413/4885
US-20130316957-A1 SMOOTHENED POLYPEPTIDES AND METHODS OF USE SMO, SHH, GLI1 DGKA 195/4885NOD1 4225/4885P2RY10 4413/4885
US-20120282196-A1 SMOOTHENED POLYPEPTIDES AND METHODS OF USE SMO, SHH, GLI1 DGKA 195/4885NOD1 4225/4885P2RY10 4413/4885

“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.