SCHEMBL12848720

SCHEMBL12848720

CCOP(=O)(CC1Cc2ccccc2S1)OCC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MMP9 P14780 11/20 0.33
MMP1 P03956 6/20 0.33
MMP3 P08254 6/20 0.33
ADAM17 P78536 6/20 0.33
ADAM9 Q13443 6/20 0.33
KCNH2 Q12809 1/20 0.33
HIF1A Q16665 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 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
SCHEMBL10282800 0.87 HSD17B10 (0.32) NPSR1MAPTMAPK1
SCHEMBL6820707 0.74 DRD3 (0.36) ACHEMAPTPOLBTSHR
SCHEMBL14861864 0.69 DRD3 (0.36)
SCHEMBL14001335 0.68 ALDH1A1 (0.33) MAPT
SCHEMBL7900045 0.68 HTR2A (0.38)
SCHEMBL26346615 0.67 OPRM1 (0.39) KCNH2
SCHEMBL10211030 0.65 SIGMAR1 (0.33)
SCHEMBL10368970 0.65 GSK3B (0.41) ACHE
SCHEMBL6756312 0.65 NPSR1 (0.42) ACHENPSR1KCNH2HIF1APOLB
SCHEMBL21128889 0.65 TSHR (0.36) TSHR

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-7897781-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
US-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-31 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-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 ACHE 1386/4885NPSR1 210/4885MMP9 3375/4885

“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.