SCHEMBL5438652

SCHEMBL5438652

CCOc1cc(-n2c(SCCC(F)(F)F)nc3c(ncn3CC)c2=O)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
APLNR P35414 2/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
TP53 P04637 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
CCR1 P32246 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NTRK1 P04629 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 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
SCHEMBL5440474 0.91 CCR1 (0.33) CTSSCTSKAPLNRMEN1KMT2A
SCHEMBL27670848 0.88 SRC (0.32) CTSSCTSKAPLNRMEN1KMT2A
SCHEMBL5431917 0.85 CNR1 (0.39) TP53TDP1TSHRHTT
SCHEMBL5429779 0.83 TP53 (0.39) MEN1KMT2ATP53CCR1ALDH1A1
SCHEMBL5432034 0.82 NPSR1 (0.41) MEN1KMT2ATP53TSHRALDH1A1
SCHEMBL5434559 0.81 MAOA (0.39) TSHR
SCHEMBL5433744 0.80 CTSS (0.38) CTSSCTSKMEN1KMT2ATSHR
SCHEMBL5426635 0.79 CYP2C19 (0.43) TSHRHSD17B10
SCHEMBL5431789 0.78 GRM1 (0.36) MEN1KMT2ATP53ALDH1A1
SCHEMBL5431688 0.78 MEN1 (0.33) CTSSAPLNRMEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 US claimed
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 CTSS 4571/4885CTSK 4452/4885APLNR 1635/4885

“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.