SCHEMBL5096045

SCHEMBL5096045

C=CCC(Cc1cccc(-c2ccccc2)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ GRIA2 P42262 1/20 0.47
▸ FOLH1 Q04609 3/20 0.45
▸ CPA1 P15085 3/20 0.45
▸ CPA3 P15088 3/20 0.45
▸ CPB1 P15086 1/20 0.45
▸ CPB2 Q96IY4 1/20 0.45
▸ MME P08473 3/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PLA2G10 O15496 1/20 0.44
▸ PLA2G2A P14555 1/20 0.44
▸ ACE P12821 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL9007628 0.86 CYP1A2 (0.68) CYP1A2FOLH1CPA1CPA3CPB1
SCHEMBL252900 0.86 CYP1A2 (0.68) CYP1A2FOLH1CPA1CPA3CPB1
SCHEMBL629350 0.86 CYP1A2 (0.68) CYP1A2FOLH1CPA1CPA3CPB1
SCHEMBL30543817 0.81 CYP1A2 (0.56) PTGS2CYP1A2GRIA2FOLH1CPA1
SCHEMBL14610943 0.79 FOLH1 (0.43) CYP1A2FOLH1CPA1CPA3CPB1
SCHEMBL6841478 0.78 CYP1A2 (0.51) PTGS2CYP1A2GRIA2FOLH1CPA1
SCHEMBL5870627 0.78 CYP1A2 (0.51) PTGS2CYP1A2GRIA2FOLH1CPA1
SCHEMBL9456007 0.77 GRIA2 (0.57) PTGS2CYP1A2GRIA2CPA1MME
SCHEMBL9748537 0.76 CYP2C19 (0.50) CYP1A2CPA1CPA3CYP2C19
SCHEMBL20168741 0.76 FOLH1 (0.59) FOLH1

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
US-7425562-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD. (GB) 2008-09-16 — — US disclosed
US-7132449-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2006-11-07 — — US disclosed
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 — — US disclosed
US-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-07-01 — — US disclosed
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPUTICS LIMITED (GB) 2004-07-01 — — 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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 PTGS2 1689/4885CYP1A2 3906/4885GRIA2 4451/4885
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 PTGS2 943/4885CYP1A2 3441/4885GRIA2 4324/4885
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 PTGS2 1529/4885CYP1A2 4095/4885GRIA2 4063/4885

“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.

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