SCHEMBL4902859

SCHEMBL4902859

Cc1ccc(S(=O)(=O)OCC2COc3ccc4ncc(C)nc4c3O2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CA2 P00918 1/20 0.33
F2RL3 Q96RI0 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR1A P08908 6/20 0.31
CYP2C8 P10632 1/20 0.31
DRD2 P14416 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
SCHEMBL4906739 0.92 LMNA (0.37) LMNASMN1; SMN2CYP3A4CYP2C19ALDH1A1
SCHEMBL5764664 0.88 LMNA (0.38) LMNASMN1; SMN2CYP3A4CYP2C19ALDH1A1
SCHEMBL5765990 0.88 LMNA (0.38) LMNASMN1; SMN2CYP3A4CYP2C19ALDH1A1
SCHEMBL4906723 0.88 LMNA (0.38) LMNASMN1; SMN2CYP3A4CYP2C19ALDH1A1
SCHEMBL5766908 0.88 LMNA (0.38) LMNASMN1; SMN2CYP3A4CYP2C19ALDH1A1
SCHEMBL5766806 0.85 LMNA (0.37) LMNASMN1; SMN2CYP3A4CYP2C19ALDH1A1
SCHEMBL5766815 0.85 LMNA (0.37) LMNASMN1; SMN2CYP3A4CYP2C19ALDH1A1
SCHEMBL6631935 0.84 LMNA (0.37) LMNASMN1; SMN2CYP3A4CYP2C19ALDH1A1
SCHEMBL6628114 0.84 LMNA (0.37) LMNASMN1; SMN2CYP3A4CYP2C19ALDH1A1
SCHEMBL7238404 0.83 LMNA (0.36) LMNASMN1; SMN2CYP3A4CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
EP-1856126-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES Wyeth a Corporation of the State of Delaware (US) 2007-11-21 EP disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 US disclosed
WO-2006089053-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2006-08-24 WO 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-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C LMNA 4524/4885SMN1; SMN2 2669/4885CYP3A4 637/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C LMNA 4524/4885SMN1; SMN2 2669/4885CYP3A4 637/4885

“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.