SCHEMBL926518

SCHEMBL926518

NCCOc1ccc(CC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.58
PLA2G4B P0C869 1/20 0.55
TAAR1 Q96RJ0 1/20 0.53
TBXAS1 P24557 1/20 0.52
PLA2G2A P14555 1/20 0.52
LTB4R Q15722 3/20 0.49
LTB4R2 Q9NPC1 3/20 0.49
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CA2 P00918 1/20 0.48
CAMK2A Q9UQM7 1/20 0.48
SRD5A2 P31213 1/20 0.47

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
SCHEMBL11683055 0.88 PLA2G4B (0.61) PLA2G4BTBXAS1LTB4RLTB4R2ALOX15
SCHEMBL11684213 0.86 PLA2G4B (0.69) PLA2G4BTBXAS1LTB4RLTB4R2ALOX15
SCHEMBL19679582 0.86 SRD5A2 (0.54) LTA4HPLA2G4BTBXAS1PLA2G2ALTB4R
SCHEMBL2628195 0.85 PLA2G4B (0.55) PLA2G4BTBXAS1LTB4RLTB4R2ALOX15
SCHEMBL8475224 0.85 TBXAS1 (0.55) LTA4HTBXAS1LMNACA2
SCHEMBL2628191 0.85 PLA2G4B (0.55) PLA2G4BTBXAS1LTB4RLTB4R2ALOX15
SCHEMBL11351141 0.85 CA2 (0.52) PLA2G4BTBXAS1LMNACA2CAMK2A
SCHEMBL11354239 0.84 LTA4H (0.51) LTA4HTAAR1PLA2G2AITGB3ITGA2B
SCHEMBL10897821 0.84 POLB (0.54) LTA4HTAAR1PLA2G2AITGB3ITGA2B
Hydrochloric Acid SCHEMBL8938138 0.84 TBXAS1 (0.54) LTA4HTBXAS1LMNACA2

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
US-7872021-B2 LXR receptor modulators LABORATORIES FOURNIER S.A. (FR) 2011-01-18 US disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 US disclosed
US-20070099960-A1 LXR receptor modulators LABORATOIRES FOURNIER S.A. (FR) 2007-05-03 US disclosed
US-6657063-B1 (4-(2-(2-(6-aminopyridin-3-yl)-2(R)-hydroxyethylamino) ethoxy)phenyl)acetic acid derivatives; dietetics; hypotensive agents; non-insulin dependent diabetes treatment PFIZER INC. 2003-12-02 US disclosed
EP-1060178-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER (US) 2003-09-03 EP disclosed
US-6610707-B1 Moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases and nerve damage. PFIZER INC. 2003-08-26 US disclosed
EP-1060178-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 2000-12-20 EP disclosed
WO-1999045006-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 1999-09-10 WO disclosed
US-4179511-A Antibacterial 3-(5-tetrazolyl) penam compounds PFIZER INC. (US) 1979-12-18 US disclosed
US-4143039-A ANTIBACTERIAL 3-(5-TETRAZOLYL)PENAM COMPOUNDS PFIZER INC. (US) 1979-03-06 US disclosed
US-4115385-A PENICILLINS PFIZER INC. (US) 1978-09-19 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 (2 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-20070099960-A1 LXR receptor modulators NR1H2, NR1H3, PPARD LTA4H 1175/4885PLA2G4B 3016/4885TAAR1 742/4885
US-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 LTA4H 1742/4885PLA2G4B 2191/4885TAAR1 509/4885

“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.