SCHEMBL5870627

SCHEMBL5870627

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CPA3 P15088 2/20 0.51
FOLH1 Q04609 4/20 0.50
CPA1 P15085 2/20 0.50
PTGS2 P35354 1/20 0.50
PLA2G10 O15496 1/20 0.50
PLA2G2A P14555 1/20 0.50
MME P08473 1/20 0.50
ACE P12821 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
PTGES O14684 2/20 0.49
ALOX5 P09917 2/20 0.49
PPARG P37231 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
GRIA2 P42262 1/20 0.48
BCL2 P10415 1/20 0.48

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
SCHEMBL6841478 1.00 CYP1A2 (0.51) CYP1A2CPA3FOLH1CPA1PTGS2
SCHEMBL6657008 0.85 CYP1A2 (0.70) CYP1A2CPA3FOLH1CPA1MME
SCHEMBL4550704 0.85 CYP1A2 (0.70) CYP1A2CPA3FOLH1CPA1MME
SCHEMBL10009088 0.83 FOLH1 (0.51) CYP1A2CPA3FOLH1PTGESALOX5
SCHEMBL30543817 0.83 CYP1A2 (0.56) CYP1A2CPA3FOLH1CPA1PTGS2
SCHEMBL5058027 0.82 FOLH1 (0.75) CPA3FOLH1
SCHEMBL12494942 0.82 CYP1A2 (0.66) CYP1A2CPA3FOLH1CPA1MME
SCHEMBL12494702 0.82 CYP1A2 (0.66) CYP1A2CPA3FOLH1CPA1MME
SCHEMBL14402654 0.80 MME (0.44) CPA1PTGS2MMEACEACE2
SCHEMBL13849992 0.80 MME (0.44) CPA1PTGS2MMEACEACE2

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-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US claimed
US-7132449-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2006-11-07 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
US-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-06-03 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 (4 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 CYP1A2 3906/4885CPA3 26/4885FOLH1 1446/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ CYP1A2 1883/4885CPA3 72/4885FOLH1 372/4885
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CYP1A2 4095/4885CPA3 50/4885FOLH1 1370/4885
US-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases CTRL, CPN1, CPA1 CYP1A2 4593/4885CPA3 50/4885FOLH1 816/4885

“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.