SCHEMBL4807017

SCHEMBL4807017

FC(F)(F)c1ccc(Cc2[c]cccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
TSHR P16473 1/20 0.40
KIF11 P52732 2/20 0.39
SRD5A2 P31213 1/20 0.39
IDO1 P14902 3/20 0.39
VKORC1 Q9BQB6 1/20 0.38
MAPT P10636 1/20 0.37
MAOB P27338 2/20 0.36
LTA4H P09960 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
CHRM5 P08912 1/20 0.35
TRPV6 Q9H1D0 1/20 0.34

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
SCHEMBL1531987 0.79 IDO1 (0.37) ALDH1A1TAAR1IDO1MAPTKDM4E
SCHEMBL79754 0.78 CALM1 (0.50) ALDH1A1TSHRIDO1MAPTLTA4H
SCHEMBL8791282 0.76 ESR1 (0.50) ALDH1A1TAAR1IDO1MAPTKDM4E
SCHEMBL1531966 0.76 SIGMAR1 (0.37) ALDH1A1TAAR1IDO1MAPTKDM4E
SCHEMBL8939729 0.76 TAAR1 (0.43) ALDH1A1TAAR1TSHRIDO1
SCHEMBL6353303 0.76 IDO1 (0.37) ALDH1A1TAAR1TSHRSRD5A2IDO1
SCHEMBL8182895 0.76 CYP11B1 (0.39) ALDH1A1MAPTLTA4H
SCHEMBL17956849 0.76 CYP3A4 (0.50) ALDH1A1TSHRMAPTMAOBMAOA
SCHEMBL4390802 0.76 APP (0.37) IDO1
SCHEMBL27490282 0.76 TP53 (0.44) ALDH1A1TAAR1KIF11MAPTKDM4E

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-7414072-B2 Aryl 5-thio-β-d-glucopyranoside derivatives and therapeutic agents for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-08-19 US disclosed
US-20050256317-A1 Process for selective production of aryl 5-thio-beta-d- aldohexopyranosides TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
US-20050209309-A1 Aryl 5-thio-beta-d-glucopyranoside derivatives and remedies for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. 2005-09-22 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 (2 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-20050256317-A1 Process for selective production of aryl 5-thio-beta-d- aldohexopyranosides ALDOA, DERA, AKR1D1 ALDH1A1 65/4885TAAR1 365/4885TSHR 206/4885
US-20050209309-A1 Aryl 5-thio-beta-d-glucopyranoside derivatives and remedies for diabetes containing the same SLC5A2, SLC5A1, UGGT1 ALDH1A1 349/4885TAAR1 3159/4885TSHR 2478/4885

“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.