SCHEMBL4624345

SCHEMBL4624345

COc1ccccc1-c1cc(F)cc2c1OC(COS(=O)(=O)c1ccc(C)cc1)C=C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
VDR P11473 1/20 0.33
ITGB1 P05556 2/20 0.32
ITGA4 P13612 2/20 0.32
ITGB7 P26010 2/20 0.32
GAA P10253 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CTSA P10619 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4624340 1.00 TSHR (0.35) TSHRSMN1; SMN2MAPTLMNAMEN1
SCHEMBL4622612 0.88 MAPT (0.32) TSHRMAPTLMNAKMT2AMAPK1
SCHEMBL4622621 0.88 MAPT (0.32) TSHRMAPTLMNAKMT2AMAPK1
SCHEMBL4621846 0.88 CA12 (0.33) LMNAVDR
SCHEMBL4620711 0.83 AQP1 (0.39) TSHRMAPTMAPK1CYP3A4CYP2C9
SCHEMBL4621421 0.82 AQP1 (0.32) MAPTLMNAKMT2AHTT
SCHEMBL4621419 0.82 AQP1 (0.32) MAPTLMNAKMT2AHTT
SCHEMBL4619873 0.81 CYP2D6 (0.35) TSHRMAPTMAPK1CYP3A4CYP2C9
SCHEMBL4619255 0.81 CYP2D6 (0.35) TSHRMAPTMAPK1CYP3A4CYP2C9
SCHEMBL6759548 0.81 KMT2A (0.38) TSHRMAPTMEN1KMT2AMAPK1

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-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 US disclosed
US-20060258714-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2006-11-16 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-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 TSHR 72/4885SMN1; SMN2 1535/4885MAPT 2730/4885
US-20060258714-A1 Chromane and chromene derivatives and uses thereof HTR1A, HTR2C, CHRM1 TSHR 72/4885SMN1; SMN2 1535/4885MAPT 2730/4885

“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.