SCHEMBL6283617

SCHEMBL6283617

CC(C)(C)[C](O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 4/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CES1 P23141 4/20 0.41
CES2 O00748 3/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
ELANE P08246 2/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
F12 P00748 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5709683 0.77 POLB (0.42) ALDH1A1TSHRHSD17B10TDP1CES1
SCHEMBL3011527 0.77 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10TDP1CES1
SCHEMBL8576252 0.77 ATM (0.42) ALDH1A1TSHRHSD17B10TDP1CES1
SCHEMBL8576250 0.77 ATM (0.42) ALDH1A1TSHRHSD17B10TDP1CES1
SCHEMBL7698518 0.74 CES1 (0.44) ALDH1A1TSHRHSD17B10TDP1CES1
SCHEMBL14527931 0.72 F2 (0.46) ALDH1A1TSHRHSD17B10TDP1CES1
SCHEMBL965081 0.72 ATM (0.40) ALDH1A1TSHRHSD17B10TDP1CES1
SCHEMBL9275457 0.72 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10TDP1CES1
SCHEMBL226691 0.72 CES1 (0.58) ALDH1A1TSHRHSD17B10TDP1CES1
SCHEMBL28581275 0.72 ESR1 (0.41) ALDH1A1TSHRHSD17B10TDP1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852863-B2 Metabolites of (3-{[4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid PFIZER INC. (US) 2005-02-08 US disclosed
EP-1470109-A1 METABOLITES OF (3- [(4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO]-METHYL -PHENOXY)-ACETIC ACID Pfizer Products Inc. (US) 2004-10-27 EP disclosed
US-20030216445-A1 Metabolites of (3-[[4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid CAMERON KIMBERLY O (US) 2003-11-20 US disclosed
WO-2003064391-A1 METABOLITES OF (3-{[4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO]-METHYL}-PHENOXY)-ACETIC ACID PFIZER PRODUCTS INC. (US) 2003-08-07 WO disclosed
EP-0384747-A1 Pharmaceutical or veterinary preparations of substituted hexenoic acid derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1990-08-29 EP disclosed
EP-0308867-A2 Alkenylsilylazetidinone intermediates for carbapenems SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1989-03-29 EP 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-20030216445-A1 Metabolites of (3-[[4-tert-butyl-benzyl)-(pyridine-3-sulfonyl)-amino]-methyl}-phenoxy)-acetic acid ABAT, BCAT2, PC ALDH1A1 128/4885TSHR 1584/4885HSD17B10 1172/4885

“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.