SCHEMBL6661784

SCHEMBL6661784

CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
CTSB P07858 3/20 0.43
SYK P43405 1/20 0.43
ELANE P08246 4/20 0.42
CTSL P07711 3/20 0.42
CTSS P25774 3/20 0.42
CTRC Q99895 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CTSK P43235 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
SCHEMBL4904600 0.81 SYK (0.57) ATMCTSBSYKCTSLCTSS
SCHEMBL14768567 0.81 SYK (0.57) ATMCTSBSYKCTSLCTSS
SCHEMBL4784830 0.80 ELANE (0.49) ALDH1A1ATMCTSBSYKELANE
SCHEMBL25076347 0.80 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AATMCTSB
SCHEMBL10421523 0.79 TACR1 (0.43) ALDH1A1MEN1KMT2AATMCTSL
SCHEMBL10420285 0.79 TACR1 (0.43) ALDH1A1MEN1KMT2AATMCTSL
SCHEMBL10051908 0.78 CTSB (0.46) ATMCTSBELANEPOLBCTSK
SCHEMBL7770306 0.77 ALDH1A1 (0.47) ALDH1A1KMT2ACTSBSYKELANE
SCHEMBL8667196 0.77 TRPM8 (0.54) ALDH1A1ATMCTSBSYKELANE
SCHEMBL10420029 0.77 TACR1 (0.41) ALDH1A1MEN1KMT2AATMELANE

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
WO-2004065334-A1 METHOD OF REMOVING ORGANOTIN RESIDUE CHIROGEN PTY LIMITED (AU) 2004-08-05 WO disclosed
WO-2004065335-A1 ENANTIOSELECTIVE REDUCTION METHOD CHIROGEN PTY LIMITED (AU) 2004-08-05 WO disclosed
WO-2004031198-A1 ENANTIOSELECTIVE REDUCTIVE METHODS USING CHIRAL ORGANOSTANNANES CHIROGEN PTY LIMITED (AU) 2004-04-15 WO disclosed
WO-2004018487-A1 CHIRAL ORGANOSILICON HYDRIDES CHIROGEN PTY LIMITED (AU) 2004-03-04 WO disclosed
WO-2004011473-A1 ORGANOGERMANIUM COMPOUNDS AND METHODS FOR THEIR USE CHIROGEN PTY LIMITED (AU) 2004-02-05 WO disclosed
US-20030166979-A1 Catalytic reduction using hydrogen DAKTERNIEKS DAINIS (AU) 2003-09-04 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-20030166979-A1 Catalytic reduction using hydrogen GRHPR, CBR1, SPR ALDH1A1 141/4885MEN1 1920/4885KMT2A 2051/4885

“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.