SCHEMBL6427689

SCHEMBL6427689

CCCCCCCCCCCCCCOc1cccc(NC(=O)C(CO)NC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.55
THRB P10828 1/20 0.53
FAAH O00519 6/20 0.49
SMPD1 P17405 3/20 0.48
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
PLA2G4B P0C869 1/20 0.46

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
SCHEMBL4949517 0.86 S1PR1 (0.62) FAAHS1PR1S1PR3
SCHEMBL4948244 0.82 TSHR (0.59)
SCHEMBL14521763 0.82 THRB (0.61) NR1H4THRBFAAHSMPD1S1PR1
SCHEMBL9858310 0.82 NR1H4 (0.68) NR1H4THRBFAAHSMPD1PLA2G4B
SCHEMBL4950894 0.80 PTPN1 (0.53)
Trifluoroacetic Acid SCHEMBL5666468 0.79 S1PR1 (0.53) NR1H4THRBS1PR1S1PR3
Trifluoroacetic Acid SCHEMBL20570014 0.79 S1PR1 (0.53) NR1H4THRBS1PR1S1PR3
SCHEMBL14544616 0.78 THRB (0.65) NR1H4THRBFAAHSMPD1
SCHEMBL2095695 0.77 FAAH (0.65) NR1H4THRBFAAHSMPD1
SCHEMBL9769453 0.77 THRB (0.67) NR1H4THRBFAAHSMPD1

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-20050261252-A1 LPA receptor agonists and antagonists and methods of use MILLER DUANE D 2005-11-24 US disclosed
US-6875757-B2 For therapy of cancer, enhancing cell proliferation, and wound UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-04-05 US disclosed
US-20030130237-A1 LPA receptor agonists and antagonists and methods of use MILLER DUANE D (US) 2003-07-10 US disclosed
US-20030027800-A1 LPA receptor agonists and antagonists and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-02-06 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 (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-20050261252-A1 LPA receptor agonists and antagonists and methods of use LPAR1, LPAR2, LPAR3 NR1H4 336/4885THRB 1112/4885FAAH 141/4885
US-20030027800-A1 LPA receptor agonists and antagonists and methods of use LPAR1, LPAR2, LPAR3 NR1H4 336/4885THRB 1112/4885FAAH 141/4885
US-20030130237-A1 LPA receptor agonists and antagonists and methods of use LPAR1, LPAR2, LPAR5 NR1H4 282/4885THRB 1581/4885FAAH 107/4885

“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.