SCHEMBL7678015

SCHEMBL7678015

CC(C(=O)O)c1ccc(C(=O)c2ccc(Cl)cc2)n1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
SRD5A2 P31213 1/20 0.43
HRH3 Q9Y5N1 7/20 0.43
PTGS2 P35354 4/20 0.41
CXCL8 P10145 1/20 0.41
AKR1B1 P15121 1/20 0.41
PTGS1 P23219 1/20 0.41
GLO1 Q04760 1/20 0.41
ABCB11 O95342 1/20 0.41
MAPK1 P28482 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL11814670 0.90 HTT (0.47) HTTSRD5A2HRH3PTGS2CXCL8
SCHEMBL15641391 0.86 PTGS1 (0.56) SRD5A2PTGS2CXCL8AKR1B1PTGS1
SCHEMBL15641390 0.86 PTGS1 (0.56) SRD5A2PTGS2CXCL8AKR1B1PTGS1
SCHEMBL11822151 0.86 HTT (0.43) HTTSRD5A2HRH3PTGS2CXCL8
SCHEMBL11810218 0.85 PTGS1 (0.41) HTTPTGS2CXCL8AKR1B1PTGS1
SCHEMBL7678249 0.84 PTGS2 (0.44) HTTHRH3PTGS2CXCL8AKR1B1
SCHEMBL7682271 0.83 SMN1; SMN2 (0.44) HRH3PTGS2CXCL8PTGS1MAPK1
SCHEMBL11811925 0.83 TSHR (0.45) HTTSRD5A2HRH3PTGS2CXCL8
SCHEMBL7685006 0.82 HTT (0.54) HTTPTGS2PTGS1MAPK1HPGD
SCHEMBL11091486 0.81 PTGS1 (0.33) PTGS2CXCL8AKR1B1PTGS1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948483-A1 FARNESYL TRANSFERASE INHIBITORS Aventis Pharma S.A. (FR) 1999-10-13 EP claimed
WO-1998029390-A1 FARNESYL TRANSFERASE INHIBITORS RHONE-POULENC RORER S.A. (FR) 1998-07-09 WO claimed
US-6455703-B2 ADMINISTERING EFFECTIVE AMOUNT OF 1,3,6-TRIHYDRO-6-AZA-3-OXAPENTALEN-2-ONE DERIVATIVE TO THE PATIENT FOR INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION CELL PATHWAYS, INC. 2002-09-24 US disclosed
US-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia OSI PHARMACEUTICALS, INC. 2001-12-13 US disclosed
US-6160003-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-12-12 US disclosed
US-5939417-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS INC (US) 1999-08-17 US disclosed
US-5721347-A Esters and amides of substituted pyrrole acetic acids CELL PATHWAYS, INC. (US) 1998-02-24 US disclosed
EP-0485157-A2 Esters and amides of substituted pyrrole acetic acids FGN, INC. (US) 1992-05-13 EP disclosed
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 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 (1 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-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia MALT1, VHL, CDKN1A HTT 2603/4885SRD5A2 223/4885HRH3 1674/4885

“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.