SCHEMBL257247

SCHEMBL257247

CC(C)(C)OC(=O)NCC(CO)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
AURKB Q96GD4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM3 P20309 1/20 0.42
EGFR P00533 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CES2 O00748 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PNMT P11086 1/20 0.40
HTRA1 Q92743 1/20 0.40

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
SCHEMBL11306615 0.85 CTSS (0.45) CYP2C9CTSSCTSK
SCHEMBL257275 0.85 PNMT (0.51) RXFP1AURKBALDH1A1NPSR1CES2
SCHEMBL257201 0.85 AVPR2 (0.51) RXFP1AURKBSMN1; SMN2MEN1KMT2A
SCHEMBL5074824 0.83 AAK1 (0.45) AURKBEGFRCTSSCTSK
SCHEMBL16673956 0.83 CYP1A2 (0.41) RXFP1AURKBSMN1; SMN2MEN1KMT2A
SCHEMBL3447470 0.82 MEN1 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL5742834 0.82 CTSK (0.50) MEN1KMT2ACTSSCTSKMAPT
SCHEMBL10216833 0.81 KCNQ3 (0.50) RXFP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL22321391 0.81 KCNQ3 (0.50) RXFP1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13168015 0.81 KCNQ3 (0.50) RXFP1SMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
EP-2619188-B1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER IP GMBH (DE) 2015-05-06 EP disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
WO-2012028644-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 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 (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-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF TNNT2, TNNI3, PNMT RXFP1 3698/4885AURKB 4740/4885SMN1; SMN2 1335/4885

“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.