SCHEMBL4943386

SCHEMBL4943386

CCC(C)(C)c1cccc(C(C)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.50
PTGS1 P23219 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.50
CXCR1 P25024 2/20 0.50
CXCR2 P25025 2/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 2/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
HIF1A Q16665 2/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
PMP22 Q01453 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CXCL8 P10145 1/20 0.50
THPO P40225 1/20 0.50
AKR1C3 P42330 6/20 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
SCHEMBL7357616 0.83 PTGS1 (0.56) PTGS2PTGS1SMN1; SMN2MAPTLMNA
SCHEMBL3145951 0.82 PTGS1 (0.54) PTGS2PTGS1SMN1; SMN2MAPTLMNA
SCHEMBL3629026 0.80 KIF11 (0.47) SMN1; SMN2MAPTLMNAMAPK1HPGD
SCHEMBL12129513 0.79 PTGS1 (0.55) PTGS2PTGS1SMN1; SMN2MAPTLMNA
SCHEMBL4374428 0.79 PTGS1 (0.55) PTGS2PTGS1SMN1; SMN2MAPTLMNA
SCHEMBL1760202 0.79 AKR1C3 (0.66) PTGS2PTGS1SMN1; SMN2MAPTLMNA
SCHEMBL1993610 0.79 AKR1C3 (0.66) PTGS2PTGS1SMN1; SMN2MAPTLMNA
SCHEMBL602096 0.77 PTGS2 (0.69) PTGS2PTGS1SMN1; SMN2MAPTLMNA
SCHEMBL15067658 0.77 PLA2G10 (0.43) PTGS2SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL10593403 0.75 NPC1 (0.45) SMN1; SMN2MAPTLMNAMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493402-B2 Omega-aminoalkylamides of R-2-aryl-propionic acids as inhibitors of the chemotaxis of polymorphonucleate and mononucleate cells DOMPÉ FARMACEUTICI S.P.A. (IT) 2016-11-15 US disclosed
EP-1366018-B1 OMEGA-AMINOALKYLAMIDES OF (R)-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS DOMPÉ FARMACEUTICI S P A (IT) 2016-07-06 EP disclosed
US-20130079514-A1 \"OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS\ Dompé S.p.A. (IT) 2013-03-28 US disclosed
US-8288368-B2 inhibitors of the C5a induced chemotaxis; psoriasis, ulcerative cholitis, glomerular nephritis, acute respiratory insufficiency, idiopathic fibrosis, rheumatoid arthritis and in the prevention and the treatment of injury caused by ischemia and reperfusion DOMPÉ PHA.R.MA S.P.A. (IT) 2012-10-16 US disclosed
US-20080045522-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS DOMPE PHA.R.MA S.P.A. (IT) 2008-02-21 US disclosed
US-20050080067-A1 Omega aminoalkylamides of R-2 aryl propionic acids as inhibitors of the chemotaxis of polymorphonucleate and mononucleate cells DOMPE S.P A. (IT) 2005-04-14 US disclosed
EP-1366018-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS Dompé S.P.A. (IT) 2003-12-03 EP disclosed
WO-2002068377-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS Dompé S.p.A. (IT) 2002-09-06 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-20050080067-A1 Omega aminoalkylamides of R-2 aryl propionic acids as inhibitors of the chemotaxis of polymorphonucleate and mononucleate cells C5AR2, C3AR1, C5AR1 PTGS2 318/4885PTGS1 643/4885SMN1; SMN2 3517/4885
US-20130079514-A1 \"OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS\ C5AR2, C3AR1, C5AR1 PTGS2 333/4885PTGS1 565/4885SMN1; SMN2 3737/4885
US-20080045522-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS C5AR2, C3AR1, C5AR1 PTGS2 296/4885PTGS1 561/4885SMN1; SMN2 3516/4885

“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.