SCHEMBL3989530

SCHEMBL3989530

O=C(O)CC(NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1O)c1ccc(-c2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 9/20 0.48
DCAF1 Q9Y4B6 1/20 0.47
TMPRSS4 Q9NRS4 2/20 0.44
CYP26A1 O43174 3/20 0.44
P2RX1 P51575 1/20 0.43
P2RX4 Q99571 1/20 0.43
P2RX7 Q99572 1/20 0.43
EEF2K O00418 1/20 0.41
UTS2R Q9UKP6 1/20 0.41
FFAR1 O14842 3/20 0.40

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
SCHEMBL6097139 1.00 CTSA (0.48) CTSADCAF1TMPRSS4CYP26A1P2RX1
SCHEMBL5927615 0.93 CTSA (0.47) CTSADCAF1TMPRSS4P2RX1P2RX4
SCHEMBL4827815 0.90 DCAF1 (0.54) CTSADCAF1CYP26A1
SCHEMBL5926628 0.90 DCAF1 (0.43) CTSADCAF1TMPRSS4P2RX1P2RX4
SCHEMBL5926547 0.90 DCAF1 (0.43) CTSADCAF1TMPRSS4P2RX1P2RX4
SCHEMBL6099049 0.89 CTSA (0.50) CTSACYP26A1EEF2KFFAR1
SCHEMBL5927170 0.89 UTS2R (0.52) CTSADCAF1EEF2KUTS2R
SCHEMBL5927207 0.87 CTSA (0.53) CTSACYP26A1EEF2KFFAR1
SCHEMBL6097767 0.86 CTSA (0.51) CTSAEEF2KFFAR1
SCHEMBL6100609 0.85 MMP12 (0.48) CTSADCAF1P2RX1FFAR1

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-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 US disclosed
EP-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 EP disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014533-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 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-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 CTSA 465/4885DCAF1 3885/4885TMPRSS4 1269/4885

“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.