SCHEMBL3264450

SCHEMBL3264450

CCCCCc1nc(C(=O)O)no1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.41
ALDH1A1 P00352 1/20 0.38
HCAR2 Q8TDS4 2/20 0.37
HCAR3 P49019 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
RARB P10826 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35

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
SCHEMBL18606701 0.85 PPARA (0.40) PPARAALDH1A1S1PR2S1PR1S1PR3
SCHEMBL15332383 0.80 APOBEC3A (0.35) ALDH1A1HCAR2
SCHEMBL30044537 0.79 ATM (0.37) PPARAALDH1A1SPHK1
SCHEMBL15932098 0.76 MMP2 (0.41) ALDH1A1
SCHEMBL6407880 0.76 PPARA (0.46) PPARAALDH1A1
SCHEMBL7953979 0.74 ALDH1A1 (0.50) PPARAALDH1A1
SCHEMBL23353902 0.74 ALDH1A1 (0.38) ALDH1A1HDAC1HDAC2HDAC8
SCHEMBL7955708 0.72 PPARA (0.46) PPARAALDH1A1
SCHEMBL3227370 0.72 SMPD1 (0.33)
SCHEMBL369393 0.72 PPARA (0.46) PPARAS1PR2S1PR1S1PR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
EP-2167490-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2010-03-31 EP disclosed
WO-2008153325-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-18 WO disclosed
US-5888941-A Carbozamides with antifungal activity J. URIACH & CIA. S.A. (ES) 1999-03-30 US disclosed
EP-0783502-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-07-16 EP disclosed
WO-1997005131-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-02-13 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-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CYP51A1, ERG28, CYP3A7 PPARA 2439/4885ALDH1A1 1486/4885HCAR2 3912/4885

“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.