SCHEMBL13530597

SCHEMBL13530597

Fc1cnc(OCc2ccc(C(F)(F)F)cc2)nc1NCc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
TSHR P16473 8/20 0.43
CYP1A2 P05177 7/20 0.43
CYP2D6 P10635 7/20 0.43
CYP2C19 P33261 7/20 0.43
CYP3A4 P08684 6/20 0.43
LMNA P02545 6/20 0.39
USP2 O75604 3/20 0.39
USP1 O94782 2/20 0.39
WDR48 Q8TAF3 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PIP4K2C Q8TBX8 1/20 0.39
KDM4E B2RXH2 6/20 0.39
MAPT P10636 5/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GBA1 P04062 1/20 0.39
HPGD P15428 3/20 0.38
ATM Q13315 2/20 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
SCHEMBL13530569 0.90 KCNH3 (0.46) ALDH1A1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL13530509 0.90 NPC1 (0.44) ALDH1A1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL13530562 0.89 MEN1 (0.41) ALDH1A1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL13530664 0.88 LMNA (0.41) ALDH1A1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL13530511 0.88 NPC1 (0.44) ALDH1A1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL13530613 0.88 CYP1A2 (0.42) ALDH1A1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL13530530 0.86 TSHR (0.43) ALDH1A1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL13530610 0.86 ALDH1A1 (0.47) ALDH1A1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL13530595 0.86 TSHR (0.40) ALDH1A1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL13530533 0.85 ALDH1A1 (0.47) ALDH1A1TSHRCYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 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 (3 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-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ALDH1A1 1302/4885TSHR 3010/4885CYP1A2 430/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ALDH1A1 1302/4885TSHR 3010/4885CYP1A2 430/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 ALDH1A1 1302/4885TSHR 3010/4885CYP1A2 430/4885

“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.