SCHEMBL3701609

SCHEMBL3701609

FC(F)(F)c1ccsc1Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CASP3 P42574 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
P2RX7 Q99572 1/20 0.31
CYP2A6 P11509 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
SCHEMBL10078874 0.75 CA2 (0.37) ALDH1A1TDP1CYP2A6
SCHEMBL25262617 0.74 DAO (0.36) ALDH1A1CTNNB1WNT3A
SCHEMBL15352797 0.72 ALDH1A1 (0.35) ALDH1A1TDP1CTNNB1WNT3A
SCHEMBL15242418 0.71 ALDH1A1 (0.33) ALDH1A1TDP1CTNNB1WNT3A
SCHEMBL26617149 0.70 ALDH1A1 (0.34) ALDH1A1TDP1CTNNB1WNT3A
SCHEMBL22591301 0.70 ALDH1A1 (0.35) ALDH1A1TDP1CTNNB1WNT3A
SCHEMBL765343 0.70 ALDH1A1 (0.34) ALDH1A1TDP1CTNNB1WNT3A
SCHEMBL15674825 0.70 ALDH1A1 (0.41) ALDH1A1TDP1CTNNB1WNT3A
SCHEMBL28135449 0.70 CTNNB1 (0.34) ALDH1A1TDP1CTNNB1WNT3A
SCHEMBL28783014 0.68 ALDH1A1 (0.33) ALDH1A1TDP1CTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460789-B1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-04-19 EP disclosed
US-9079830-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-14 US disclosed
EP-2460789-A1 METHOD FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-06-06 EP disclosed
US-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 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-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND AKR7A2, AOC2, CBR1 ALDH1A1 35/4885TDP1 4738/4885CASP3 2689/4885

“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.