SCHEMBL4226401

SCHEMBL4226401

COc1cc2c(c(-c3ccccc3F)c1)OC(COS(=O)(=O)c1ccc(C)cc1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
TSHR P16473 3/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 1/20 0.33
VDR P11473 1/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP24A1 Q07973 2/20 0.32
TP53 P04637 1/20 0.32
CYP26A1 O43174 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 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
SCHEMBL4230946 0.93 PRKAB2 (0.33) ALDH1A1TSHRMAPTMAPK1KDM4E
SCHEMBL4234252 0.91 ALDH1A1 (0.36) ALDH1A1TSHRMAPTMAPK1KMT2A
SCHEMBL4225277 0.91 ALDH1A1 (0.36) ALDH1A1TSHRMAPTMAPK1GAA
SCHEMBL4233543 0.90 AQP1 (0.39) ALDH1A1TSHRMAPTMAPK1KMT2A
SCHEMBL4219243 0.90 AQP1 (0.35) ALDH1A1TSHRMAPTMAPK1L3MBTL1
SCHEMBL4231899 0.90 MAPK14 (0.34) ALDH1A1TSHRMAPTMAPK1CYP3A4
SCHEMBL4234479 0.89 CYP3A4 (0.38) ALDH1A1TSHRMAPTGAAKMT2A
SCHEMBL4220444 0.89 AQP1 (0.36) ALDH1A1TSHRMAPTMAPK1KMT2A
SCHEMBL4226492 0.89 ALDH1A1 (0.36) ALDH1A1TSHRMAPTMAPK1L3MBTL1
SCHEMBL4220957 0.88 HPRT1 (0.34) ALDH1A1TSHRMAPTMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A ALDH1A1 190/4885TSHR 441/4885MAPT 2152/4885

“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.