SCHEMBL4950894

SCHEMBL4950894

CCCCCCCCCCCCCCOc1ccccc1NC(=O)C(CO)NC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.53
EBP Q15125 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL4947730 0.81 TSHR (0.55) KMT2ANPC1RAB9ATSHRPOLB
SCHEMBL4949517 0.79 S1PR1 (0.62) L3MBTL1GPR88GAA
SCHEMBL8930340 0.79 KMT2A (0.59) PTPN1EBPSIGMAR1KMT2ANPC1
Trifluoroacetic Acid SCHEMBL5666475 0.78 PTPN1 (0.51) PTPN1EBPSIGMAR1KMT2ANPC1
SCHEMBL7952997 0.77 KMT2A (0.64) PTPN1EBPSIGMAR1KMT2ANPC1
SCHEMBL11482525 0.77 KMT2A (0.64) PTPN1EBPSIGMAR1KMT2ANPC1
SCHEMBL14625066 0.77 KMT2A (0.64) PTPN1EBPSIGMAR1KMT2ANPC1
SCHEMBL8930342 0.77 MAPT (0.64) PTPN1EBPSIGMAR1KMT2ANPC1
SCHEMBL11482522 0.76 KMT2A (0.59) PTPN1EBPSIGMAR1KMT2ANPC1
SCHEMBL7952996 0.76 KMT2A (0.59) PTPN1EBPSIGMAR1KMT2ANPC1

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 5 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
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 PTPN1 1000/4885EBP 1455/4885SIGMAR1 1114/4885
US-20030027800-A1 LPA receptor agonists and antagonists and methods of use LPAR1, LPAR2, LPAR3 PTPN1 1000/4885EBP 1455/4885SIGMAR1 1114/4885
US-20030130237-A1 LPA receptor agonists and antagonists and methods of use LPAR1, LPAR2, LPAR5 PTPN1 796/4885EBP 1473/4885SIGMAR1 1540/4885

“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.