SCHEMBL2818700

SCHEMBL2818700

CC(C)(C)OC(=O)C(C)(C)Sc1ccc(C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
SRD5A2 P31213 3/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
NR4A2 P43354 1/20 0.38
RXRG P48443 2/20 0.37
ELANE P08246 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
TYR P14679 1/20 0.35

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
SCHEMBL2823545 0.84 CA1 (0.44) MAPTTSHRCA1CA2ALDH1A1
SCHEMBL3285117 0.81 SMN1; SMN2 (0.41) MAPTTSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL12426830 0.81 ALDH1A1 (0.41) MAPTTSHRCA1CA2ALDH1A1
SCHEMBL2821868 0.80 TP53 (0.48) TP53TSHRSRD5A2CA1CA2
SCHEMBL6364141 0.79 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL4877710 0.78 LOXL2 (0.40) SMN1; SMN2ELANE
SCHEMBL4884087 0.78 SLC22A12 (0.44) MAPTCA1CA2ALDH1A1
Hydrochloric Acid SCHEMBL4927261 0.76 LOXL2 (0.39) SMN1; SMN2ELANE
SCHEMBL735343 0.76 TSHR (0.52) TP53TSHRSRD5A2CA1CA2
SCHEMBL3884314 0.75 TAAR1 (0.38) ALDH1A1KMT2A

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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US disclosed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO disclosed
EP-1435951-B1 PHENYL SUBSTITUTED 5-MEMBERED NITROGEN CONTAINING HETEROCYCLES FOR THE TRETMENT OF OBESITY BAYER PHARMACEUTICALS CORP (US) 2006-01-18 EP disclosed
US-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2005-01-20 US disclosed
EP-1435951-A1 PHENYL SUBSTITUTED 5-MEMBERED NITROGEN CONTAINING HETEROCYCLES FOR THE TRETMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2004-07-14 EP disclosed
WO-2003037332-A1 PHENYL SUBSTITUTED 5-MEMBERED NITROGEN CONTAINING HETEROCYCLES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-08 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-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity GPR119, EGLN3, PC MAPT 3022/4885TP53 2790/4885TSHR 2877/4885
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG MAPT 4229/4885TP53 2053/4885TSHR 538/4885

“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.