SCHEMBL4219829

SCHEMBL4219829

COc1cc2c(c(-c3cc(Cl)ccc3Cl)c1)OC(COS(=O)(=O)c1ccc(C)cc1)C2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.37
S1PR4 O95977 3/20 0.35
S1PR2 O95136 1/20 0.35
BRD4 O60885 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL4222020 0.92 AQP1 (0.39) AQP1MAPTKMT2AALDH1A1GAA
SCHEMBL4226280 0.92 MCOLN3 (0.36) AQP1BRD4MAPTKMT2AMEN1
SCHEMBL4225686 0.91 AQP1 (0.39) AQP1MAPTKMT2AALDH1A1GAA
SCHEMBL4226492 0.90 ALDH1A1 (0.36) AQP1BRD4MAPTALDH1A1CYP3A4
SCHEMBL4235761 0.89 AQP1 (0.50) AQP1MAPTKMT2AALDH1A1CYP3A4
SCHEMBL4221920 0.87 ALDH1A1 (0.35) AQP1MAPTKMT2AALDH1A1CYP3A4
SCHEMBL4225172 0.86 AQP1 (0.35) AQP1BRD4MAPTALDH1A1CYP3A4
SCHEMBL4235890 0.86 KMT2A (0.38) AQP1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL4234327 0.85 AQP1 (0.48) AQP1MAPTKMT2AALDH1A1CYP3A4
SCHEMBL4233775 0.85 ALDH1A1 (0.37) MAPTSMN1; SMN2ALDH1A1GAACYP3A4

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 AQP1 1105/4885S1PR4 490/4885S1PR2 345/4885

“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.