SCHEMBL2851869

SCHEMBL2851869

O=C(c1ccncc1)C(F)C(=O)C(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.45
LTA4H P09960 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MPO P05164 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2A6 P11509 1/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
PLOD2 O00469 2/20 0.38
PLOD3 O60568 2/20 0.38
PLOD1 Q02809 2/20 0.38
TSHR P16473 1/20 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
SCHEMBL4764922 0.82 NAPRT (0.52) NAPRTLTA4HALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5428890 0.80 NAPRT (0.50) NAPRTLTA4HALDH1A1CYP1A2CYP3A4
SCHEMBL523477 0.79 TDP1 (0.48) NAPRTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL9565954 0.78 TDP1 (0.47) NAPRTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL711850 0.78 CES2 (0.48) LTA4HALDH1A1MEN1KMT2ALMNA
SCHEMBL1380026 0.77 KMT2A (0.45) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL2699118 0.76 CES2 (0.46) CYP1A2MEN1KMT2ALMNAHPGD
SCHEMBL1115093 0.76 CES2 (0.46) ALDH1A1CYP1A2KDM4ELMNATSHR
SCHEMBL9770790 0.76 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAGAA
Hydrochloric Acid SCHEMBL4763043 0.75 KMT2A (0.44) ALDH1A1CYP1A2CYP3A4MEN1KMT2A

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-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 EP 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 NAPRT 1495/4885LTA4H 1362/4885ALDH1A1 148/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 NAPRT 2227/4885LTA4H 1654/4885ALDH1A1 31/4885

“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.