SCHEMBL4947730

SCHEMBL4947730

COc1ccccc1NC(=O)C(CO)NC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ANPEP P15144 1/20 0.54
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL18261160 0.86 IDO1 (0.58) TSHRANPEPMAPTTDP1KMT2A
SCHEMBL4950894 0.81 PTPN1 (0.53) TSHRMAPTKMT2AMEN1NPC1
SCHEMBL6825413 0.79 MAPT (0.60) TSHRMAPTTDP1KMT2AMEN1
SCHEMBL3064292 0.77 ANPEP (0.64) ANPEPMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL2093161 0.77 SMN1; SMN2 (0.65) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5281064 0.77 KMT2A (0.49) TSHRANPEPMAPTKMT2AMEN1
SCHEMBL4948244 0.76 TSHR (0.59) TSHRMAPTKMT2AMEN1NPC1
SCHEMBL13596172 0.76 POLB (0.62) TSHRANPEPMAPTTDP1KMT2A
SCHEMBL16999307 0.76 NPC1 (0.59) TSHRKMT2ANPC1RAB9AALDH1A1
SCHEMBL31040567 0.75 POLB (0.77) MAPTKMT2AMEN1SMN1; SMN2NPC1

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 718/4885ANPEP 2215/4885MAPT 4884/4885
US-20030027800-A1 LPA receptor agonists and antagonists and methods of use LPAR1, LPAR2, LPAR3 TSHR 718/4885ANPEP 2215/4885MAPT 4884/4885
US-20030130237-A1 LPA receptor agonists and antagonists and methods of use LPAR1, LPAR2, LPAR5 TSHR 993/4885ANPEP 2440/4885MAPT 4843/4885

“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.