SCHEMBL4387435

SCHEMBL4387435

CCC1Cc2cc(CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.35
CPB2 Q96IY4 5/20 0.35
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 4/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
TBXA2R P21731 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32

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
SCHEMBL9443905 0.74 FFAR1 (0.40) FFAR1CYP4F2CYP4A11TBXA2R
SCHEMBL13589445 0.74 FFAR1 (0.38) FFAR1S1PR1S1PR3TBXA2RHRH3
Hydrochloric Acid SCHEMBL4385248 0.73 FFAR1 (0.37) FFAR1S1PR1S1PR3TBXA2RHRH3
SCHEMBL13590813 0.72 MEN1 (0.37) FFAR1TBXA2RHRH3PRKCGPRKCB
Furofenac SCHEMBL35188 0.71 TBXA2R (0.46) FFAR1CYP4F2CYP4A11TBXA2R
Furofenac SCHEMBL29413089 0.71 TBXA2R (0.46) FFAR1CYP4F2CYP4A11TBXA2R
SCHEMBL9443900 0.68 HRH3 (0.40) FFAR1CYP4F2CYP4A11TBXA2RHRH3
SCHEMBL4387436 0.67 HRH3 (0.40) FFAR1HRH3
SCHEMBL6712793 0.66 CASP3 (0.40) CPB2
SCHEMBL25719079 0.66 L3MBTL1 (0.40) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 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-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 FFAR1 1643/4885CPB2 487/4885S1PR1 600/4885

“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.