SCHEMBL6222272

SCHEMBL6222272

COC(=O)C(C)(C)Oc1cccc(N)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
PIK3CA P42336 1/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CFTR P13569 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 1/20 0.35
ESR1 P03372 1/20 0.35
KCNH2 Q12809 1/20 0.35
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
FBP1 P09467 1/20 0.35
ADRA2B P18089 1/20 0.35
PTGS1 P23219 1/20 0.35
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL1068501 0.98 RAB9A (0.38) TSHRCYP3A4PIK3CARAB9ATP53
SCHEMBL1067214 0.77 NPSR1 (0.52) TSHRRAB9AALDH1A1KDM4ELMNA
SCHEMBL8298290 0.76 CYP3A4 (0.52) TSHRCYP3A4PIK3CAALDH1A1HSD17B10
SCHEMBL4173702 0.74 RAB9A (0.38) TSHRCYP3A4RAB9ATP53HSD17B10
SCHEMBL27608342 0.72 ACHE (0.40) TSHRCYP3A4PIK3CARAB9AALDH1A1
SCHEMBL13915601 0.72 LMNA (0.42) RAB9AALDH1A1HSD17B10KDM4ELMNA
SCHEMBL907658 0.71 ACHE (0.61) TSHRCYP3A4PIK3CARAB9AALDH1A1
SCHEMBL14747768 0.71 ALDH1A1 (0.49) TSHRRAB9ATP53ALDH1A1LMNA
SCHEMBL1706851 0.70 LMNA (0.45) CYP3A4RAB9AALDH1A1KDM4ELMNA
SCHEMBL30258790 0.69 ALDH1A1 (0.62) TSHRCYP3A4PIK3CATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO disclosed
EP-1597257-A1 OXAZOLE-DERIVATIVES AS PPAR AGONISTS PFIZER INC. (US) 2005-11-23 EP disclosed
US-20040209929-A1 Fused heteroaryl carboxylic acids as PPAR agonists AGOURON PHARMACEUTICALS, INC. 2004-10-21 US disclosed
WO-2004074284-A1 OXAZOLE-DERIVATIVES AS PPAR AGONISTS PFIZER INC. (US) 2004-09-02 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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 TSHR 3706/4885CYP3A4 210/4885PIK3CA 1522/4885
US-20040209929-A1 Fused heteroaryl carboxylic acids as PPAR agonists PPARG, PPARA, PPARD TSHR 444/4885CYP3A4 411/4885PIK3CA 659/4885

“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.