SCHEMBL6576560

SCHEMBL6576560

O=C(O)COCc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 11/20 0.51
BRS3 P32247 2/20 0.46
LPAR1 Q92633 1/20 0.46

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
SCHEMBL28067401 0.91 LTB4R2 (0.56) LTB4R2BRS3LPAR1
SCHEMBL5041952 0.82 TSHR (0.57)
SCHEMBL28358608 0.81 LTB4R2 (0.57) LTB4R2LPAR1
SCHEMBL28067445 0.79 RXRA (0.62) LTB4R2
SCHEMBL22227462 0.79 LTB4R2 (0.51) LTB4R2BRS3LPAR1
SCHEMBL5151244 0.79 LTB4R2 (0.60) LTB4R2BRS3LPAR1
SCHEMBL231282 0.78 TSHR (0.61)
SCHEMBL18759613 0.78 HNF4A (0.63) LTB4R2
SCHEMBL30292805 0.78 HNF4A (0.63) LTB4R2
SCHEMBL6799282 0.77 MCL1 (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973537-A4 COCAETHYLENE IMMUNOGENS AND ANTIBODIES DRUGABUSE SCIENCES S A S (FR) 2004-12-01 EP disclosed
US-6541004-B1 Cocaethylene immunogens and antibodies DRUGABUSE SCIENCES, INC. 2003-04-01 US disclosed
US-20020102659-A1 Cocaethylene immunogens and antibodies DRUGABUSE SCIENCES S.A.S. (FR) 2002-08-01 US disclosed
US-6114508-A 2-CARBOXYETHYL-3-BENZOYLOXY-N-METHYLTROPANE DERIVATIVES; COCAINE DETOXIFICATION; VACCINES DRUGABUSE SCIENCES, INC. (US) 2000-09-05 US disclosed
EP-0973537-A1 COCAETHYLENE IMMUNOGENS AND ANTIBODIES DrugAbuse Sciences S.A.S. (FR) 2000-01-26 EP disclosed
US-5817770-A N-METHYLTROPANE, 2-CARBOXYETHYL- OR N-ETHYLCARBOXAMIDE, 3-BENZOYLOXY- OR BENZAMIDO- DRUG ABUSE SCIENCES, INC. (US) 1998-10-06 US disclosed
WO-1998042359-A1 COCAETHYLENE IMMUNOGENS AND ANTIBODIES DRUG ABUSE SCIENCES, INC. (US) 1998-10-01 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 (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-20020102659-A1 Cocaethylene immunogens and antibodies CES2, BCHE, ERP44 LTB4R2 3053/4885BRS3 411/4885LPAR1 4316/4885

“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.