SCHEMBL7081981

SCHEMBL7081981

CC(C)(C)c1cccc(C(C)(C)C)c1C(NS(=O)(=O)N(C(=O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.36
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA2 P00918 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7085484 0.90 ACLY (0.36) ACLYMAPT
SCHEMBL7081979 0.84 ACLY (0.38) ACLYALDH1A1GAACA2
SCHEMBL7080891 0.81 LMNA (0.36)
SCHEMBL9423113 0.81 ACLY (0.38) ACLYALDH1A1GAATSHR
SCHEMBL7081978 0.77 CA2 (0.37) ALDH1A1CA2MAPT
SCHEMBL7085483 0.76 ACLY (0.38) ACLY
SCHEMBL9423116 0.73 ACLY (0.38) ACLYALDH1A1TSHRMAPT
SCHEMBL7082210 0.72 MEN1 (0.38) ACLYALDH1A1GAATSHRCA2
SCHEMBL9423211 0.72 HTT (0.33) ACLYALDH1A1GAACA2
SCHEMBL7085267 0.72 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP3A4CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592439-B1 AMINOSULFONYL CARBAMATES WARNER LAMBERT CO (US) 2003-07-30 EP claimed
US-20030134898-A1 Dual inhibitors of wax ester and cholesteryl ester synthesis for inhibiting sebum production HOMAN REYNOLD (US) 2003-07-17 US claimed
EP-1281399-A2 Dual inhibitors of wax ester and cholesteryl ester synthesis for inhibiting sebum production WARNER-LAMBERT COMPANY (US) 2003-02-05 EP claimed
US-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders CORNICELLI JOSEPH ANTHONY (US) 2002-12-05 US claimed
EP-1236468-A1 Sulfonylaminocarbonyl derivatives for the treatment of nuclear factor-kappa B mediated diseases and disorders WARNER-LAMBERT COMPANY (US) 2002-09-04 EP claimed
US-5336690-A Anticholesterol agents WARNER-LAMBERT COMPANY (US) 1994-08-09 US claimed
EP-0592439-A1 AMINOSULFONYL CARBAMATES WARNER-LAMBERT COMPANY (US) 1994-04-20 EP claimed
WO-1992008693-A1 AMINOSULFONYL CARBAMATES WARNER-LAMBERT COMPANY (US) 1992-05-29 WO claimed
EP-0592439-B1 AMINOSULFONYL CARBAMATES WARNER LAMBERT CO (US) 2003-07-30 EP disclosed
US-20030134898-A1 Dual inhibitors of wax ester and cholesteryl ester synthesis for inhibiting sebum production HOMAN REYNOLD (US) 2003-07-17 US disclosed
EP-1281399-A2 Dual inhibitors of wax ester and cholesteryl ester synthesis for inhibiting sebum production WARNER-LAMBERT COMPANY (US) 2003-02-05 EP disclosed
US-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders CORNICELLI JOSEPH ANTHONY (US) 2002-12-05 US disclosed
EP-1236468-A1 Sulfonylaminocarbonyl derivatives for the treatment of nuclear factor-kappa B mediated diseases and disorders WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
US-5336690-A Anticholesterol agents WARNER-LAMBERT COMPANY (US) 1994-08-09 US disclosed
US-5254715-A Anticholesterol agents WARNER-LAMBERT COMPANY (US) 1993-10-19 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-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders NFKBIA, IKBKB, RELA ACLY 1020/4885ALDH1A1 4328/4885GAA 2267/4885
US-20030134898-A1 Dual inhibitors of wax ester and cholesteryl ester synthesis for inhibiting sebum production ACAT2, LCAT, SOAT1 ACLY 282/4885ALDH1A1 412/4885GAA 2407/4885

“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.