SCHEMBL6563317

SCHEMBL6563317

CC(C)(C#N)c1ccc(C(C)(C)C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
RORC P51449 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.37
MTOR P42345 4/20 0.36
PIK3CA P42336 3/20 0.36
CYP19A1 P11511 1/20 0.35
UGT1A4 P22310 1/20 0.35
PDE4D Q08499 1/20 0.35
TSHR P16473 3/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CG P48736 1/20 0.35
DHODH Q02127 1/20 0.35
HPGD P15428 3/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TYR P14679 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL11044204 0.92 KIF11 (0.52) KIF11ESR1ESR2RORCTSHR
SCHEMBL307338 0.89 TSHR (0.52) KIF11ESR1ESR2RORCSCN10A
SCHEMBL3413029 0.87 MEN1 (0.50) KIF11ESR1ESR2RORCCYP19A1
SCHEMBL306585 0.87 KIF11 (0.59) KIF11CYP19A1TSHRALDH1A1
SCHEMBL13578 0.87 CYP2A6 (0.38) KIF11ESR1ESR2RORCSCN10A
SCHEMBL1244431 0.87 ESR1 (0.55) ESR1ESR2MTORCYP19A1TSHR
SCHEMBL358617 0.87 MAPT (0.43) KIF11ESR1ESR2RORCSCN10A
SCHEMBL7383205 0.87 KIF11 (0.34) KIF11ESR1ESR2RORCSCN10A
SCHEMBL11055 0.87 APP (0.36) KIF11ESR1ESR2RORCSCN10A
SCHEMBL2534039 0.87 RAB9A (0.37) KIF11ESR1ESR2RORCSCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144225-A1 METHOD FOR TREATING SURFACES BASF SE (DE) 2010-06-10 US disclosed
EP-1296945-B1 SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2004-08-04 EP disclosed
US-6703425-B2 ADMINISTERING GLUTAMATE RECEPTOR POTENTIATOR TO TREAT PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY 2004-03-09 US disclosed
US-20030229102-A1 Sulfonamide derivatives ELI LILLY AND COMPANY 2003-12-11 US disclosed
EP-1296945-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-04-02 EP disclosed
WO-2001096289-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 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 (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-20030229102-A1 Sulfonamide derivatives GRIN1, GRIN2A, SLC1A2 KIF11 3122/4885ESR1 3585/4885ESR2 2364/4885

“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.