SCHEMBL4832110

SCHEMBL4832110

CC(C)(C)OC(=O)NC(Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.47
CTSK P43235 5/20 0.47
BCL2 P10415 4/20 0.43
CTSB P07858 1/20 0.43
ECE1 P42892 2/20 0.42
CTSL P07711 1/20 0.42
MCL1 Q07820 1/20 0.41
ACE P12821 1/20 0.41
EGFR P00533 1/20 0.41
KLK5 Q9Y337 1/20 0.41
EPHX2 P34913 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL4832114 1.00 CTSS (0.47) CTSSCTSKBCL2CTSBECE1
SCHEMBL3995348 0.90 CTSS (0.50) CTSSCTSKBCL2CTSBECE1
SCHEMBL16095397 0.81 KLK5 (0.51) CTSSCTSKCTSBCTSLACE
SCHEMBL16095400 0.81 KLK5 (0.51) CTSSCTSKCTSBCTSLACE
SCHEMBL7291961 0.81 CTSS (0.59) CTSSCTSKCTSBCTSLACE
SCHEMBL8575674 0.81 CTSS (0.59) CTSSCTSKCTSBCTSLACE
SCHEMBL3992019 0.81 ATM (0.45) CTSSCTSKBCL2CTSBECE1
SCHEMBL3992025 0.81 ATM (0.45) CTSSCTSKBCL2CTSBECE1
SCHEMBL11100198 0.80 ABCB1 (0.52) CTSSCTSKBCL2CTSBCTSL
SCHEMBL3995503 0.79 ATM (0.43) CTSSCTSKBCL2CTSBECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014534-A1 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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO CTSS 1245/4885CTSK 1722/4885BCL2 3281/4885

“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.