SCHEMBL6734633

SCHEMBL6734633

O=S(=O)(Cl)C[C@@H]1CCc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
HTR1A P08908 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
NPY1R P25929 4/20 0.44
NPY5R Q15761 4/20 0.44
PLAU P00749 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
DRD2 P14416 1/20 0.41
ADRA2C P18825 1/20 0.41
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
PREP P48147 4/20 0.39
GBA1 P04062 1/20 0.39

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
SCHEMBL1689673 1.00 CYP19A1 (0.47) CYP19A1HTR1ASIGMAR1CA1CA2
SCHEMBL6737436 0.87 CA1 (0.41) CYP19A1HTR1ASIGMAR1CA1CA2
SCHEMBL28012406 0.83 CA1 (0.53) CYP19A1HTR1ASIGMAR1CA1CA2
SCHEMBL599314 0.80 CYP19A1 (0.54) CYP19A1HTR1ASIGMAR1PLAUMTNR1A
SCHEMBL27278343 0.76 CYP19A1 (0.54) CYP19A1HTR1ASIGMAR1PLAUMTNR1A
SCHEMBL9935276 0.76 CYP19A1 (0.54) CYP19A1HTR1ASIGMAR1CA1CA2
SCHEMBL2070610 0.76 CYP19A1 (0.54) CYP19A1HTR1ASIGMAR1NPY1RNPY5R
SCHEMBL17956339 0.73 CYP19A1 (0.51) CYP19A1HTR1ASIGMAR1PLAUMTNR1A
SCHEMBL2525694 0.73 CYP19A1 (0.51) CYP19A1HTR1ASIGMAR1PLAUMTNR1A
SCHEMBL10844447 0.73 AKR1C3 (0.49) HTR1ACA1CA2PLAUMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates SMITHKLINE BEECHAM P.L.C. 2004-11-11 US disclosed
US-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 US disclosed
EP-1244616-A1 (HETERO)BICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SmithKline Beecham plc (GB) 2002-10-02 EP disclosed
WO-2001047874-A1 (HETERO)BICYCLYMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-07-05 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-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives CD40, CD22, CD2 CYP19A1 1501/4885HTR1A 788/4885SIGMAR1 1656/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 CYP19A1 1376/4885HTR1A 353/4885SIGMAR1 915/4885

“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.