SCHEMBL4906739

SCHEMBL4906739

Cc1ccc(S(=O)(=O)OCC2COc3ccc4nc(C)cnc4c3O2)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
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
F2RL3 Q96RI0 1/20 0.33
CA2 P00918 1/20 0.33
HTR1A P08908 12/20 0.33
CYP2C8 P10632 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 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
SCHEMBL4902859 0.92 LMNA (0.37) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL5766908 0.88 LMNA (0.38) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL4906723 0.88 LMNA (0.38) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL5765990 0.88 LMNA (0.38) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL5764664 0.88 LMNA (0.38) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL5766806 0.85 LMNA (0.37) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL5766815 0.85 LMNA (0.37) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL4375219 0.85 HTR1A (0.47) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL4372252 0.85 HTR1A (0.47) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6
SCHEMBL7238404 0.83 LMNA (0.36) LMNASMN1; SMN2CYP3A4ALDH1A1CYP2D6

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-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US 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

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.