SCHEMBL3789997

SCHEMBL3789997

Cc1cc(C)cc(B(O)ON)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
C1S P09871 1/20 0.39
PRSS3 P35030 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
CA2 P00918 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 1/20 0.37
ORAI3 Q9BRQ5 1/20 0.37
TRPV6 Q9H1D0 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.31
TPMT P51580 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL26345899 0.79 ACHE (0.42) ALDH1A1CA2LPLLIPGORAI1
SCHEMBL18233170 0.76 ALDH1A1 (0.36) PRSS1PRSS2C1SPRSS3ALDH1A1
SCHEMBL3781715 0.71 PRSS1 (0.41) PRSS1PRSS2PRSS3ALDH1A1TSHR
SCHEMBL364635 0.71 CA2 (0.52) PRSS1PRSS2C1SPRSS3ALDH1A1
Ammonia Solution, Strong SCHEMBL28219615 0.69 LPL (0.50) PRSS1PRSS2C1SPRSS3ALDH1A1
SCHEMBL8509685 0.69 LPL (0.50) PRSS1PRSS2C1SPRSS3ALDH1A1
SCHEMBL12270851 0.69 ALDH1A1 (0.43) PRSS1PRSS2C1SPRSS3ALDH1A1
SCHEMBL3784768 0.68 CA12 (0.51) ALDH1A1TSHRCA2
SCHEMBL3787027 0.67 CA12 (0.47) ALDH1A1TSHRCA2
SCHEMBL3785268 0.67 TDP1 (0.41) ALDH1A1CA2LPLLIPGORAI1

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 PRSS1 4531/4885PRSS2 4003/4885C1S 557/4885

“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.