SCHEMBL17960002

SCHEMBL17960002

CCOC(=O)C(Cc1ccc(F)c(Cl)c1)C(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MMP8 P22894 1/20 0.39
KMT2A Q03164 3/20 0.38
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 2/20 0.37
PIK3CA P42336 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL17959947 0.90 TSHR (0.39) CYP3A4CYP2C9TSHRSMN1; SMN2MMP8
SCHEMBL15261907 0.90 SMN1; SMN2 (0.49) CYP3A4CYP2C9TSHRSMN1; SMN2MMP8
SCHEMBL17960001 0.89 SMN1; SMN2 (0.39) CYP3A4CYP2C9TSHRSMN1; SMN2MMP8
SCHEMBL16571373 0.86 EPHX2 (0.38) CYP3A4CYP2C9TSHRSMN1; SMN2MMP8
SCHEMBL17973237 0.85 EPHX2 (0.46) CYP3A4CYP2C9TSHRMMP8HDAC4
SCHEMBL15262431 0.85 TSHR (0.42) CNR2CYP3A4CYP2C9TSHRSMN1; SMN2
SCHEMBL17959977 0.84 IDO1 (0.44) CYP3A4CYP2C9TSHRSMN1; SMN2LMNA
SCHEMBL15262656 0.84 CYP3A4 (0.42) CYP3A4CYP2C9TSHRSMN1; SMN2MMP8
SCHEMBL15262338 0.84 CYP2C9 (0.40) CYP3A4CYP2C9TSHRSMN1; SMN2MMP8
SCHEMBL2420714 0.84 MMP8 (0.45) TSHRSMN1; SMN2MMP8KMT2AMEN1

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-20160237059-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 US disclosed
US-20160237059-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 US disclosed
US-20160237059-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 US disclosed
US-20160221965-A1 DISUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-04 US disclosed
US-20160221965-A1 DISUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-04 US disclosed
US-20160221965-A1 DISUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-04 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-20160221965-A1 DISUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE REN, GLS, FIBP CNR2 1024/4885CYP3A4 3485/4885CYP2C9 4454/4885
US-20160237059-A1 HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND THEIR USE REN, GLS, FIBP CNR2 711/4885CYP3A4 1801/4885CYP2C9 3120/4885

“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.