SCHEMBL4948244

SCHEMBL4948244

COc1cccc(NC(=O)C(CO)NC(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
NLRP3 Q96P20 1/20 0.53
USP2 O75604 1/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
MTNR1B P49286 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
GPR139 Q6DWJ6 1/20 0.52
TP53 P04637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL4950578 0.83 KMT2A (0.55) ALDH1A1NPC1RAB9AGAAKMT2A
SCHEMBL6427689 0.82 NR1H4 (0.55)
SCHEMBL2308107 0.80 ALDH1A1 (0.59) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL20568912 0.79 MITF (0.47) ALDH1A1LMNANPC1RAB9AMEN1
SCHEMBL31728556 0.78 RAB9A (0.71) TSHRALDH1A1NPC1RAB9ANLRP3
SCHEMBL2095227 0.78 RAB9A (0.71) TSHRALDH1A1NPC1RAB9ANLRP3
SCHEMBL2856692 0.77 HPGD (0.68) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL8298315 0.77 MTNR1B (0.81) TSHRALDH1A1LMNANPC1RAB9A
Fluoride SCHEMBL11799148 0.77 RAB9A (0.69) TSHRALDH1A1NPC1RAB9ANLRP3
SCHEMBL19592390 0.76 ALDH1A1 (0.62) TSHRALDH1A1NPC1RAB9ANLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1918287-A2 LPA receptor agonists and antagonists and methods of use THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2008-05-07 EP disclosed
EP-1263752-B1 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE UNIV TENNESSEE RES CORP (US) 2007-12-05 EP disclosed
EP-1427424-A4 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE UNIV TENNESSEE RES CORP (US) 2006-12-13 EP disclosed
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
EP-1427424-A2 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2004-06-16 EP disclosed
EP-1263752-A4 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE UNIV TENNESSEE RES CORP (US) 2003-07-30 EP disclosed
US-20030130237-A1 LPA receptor agonists and antagonists and methods of use MILLER DUANE D (US) 2003-07-10 US disclosed
WO-2003024402-A2 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2003-03-27 WO 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
EP-1263752-A2 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2002-12-11 EP disclosed
WO-2001071022-A2 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2001-09-27 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-20050261252-A1 LPA receptor agonists and antagonists and methods of use LPAR1, LPAR2, LPAR3 TSHR 718/4885ALDH1A1 631/4885LMNA 1415/4885
US-20030027800-A1 LPA receptor agonists and antagonists and methods of use LPAR1, LPAR2, LPAR3 TSHR 718/4885ALDH1A1 631/4885LMNA 1415/4885
US-20030130237-A1 LPA receptor agonists and antagonists and methods of use LPAR1, LPAR2, LPAR5 TSHR 993/4885ALDH1A1 745/4885LMNA 683/4885

“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.