SCHEMBL2851867

SCHEMBL2851867

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.51
PLOD3 O60568 3/20 0.51
PLOD1 Q02809 3/20 0.51
NAPRT Q6XQN6 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
MPO P05164 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2A6 P11509 1/20 0.41
LTA4H P09960 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL583437 0.81 CES1 (0.57) NAPRTKDM4ECYP3A4CYP2C19ALDH1A1
SCHEMBL9630805 0.79 CES1 (0.55) NAPRTKDM4ECYP3A4ALDH1A1HPGD
SCHEMBL711848 0.79 PLOD2 (0.50) PLOD2LTA4HKMT2AMLYCD
SCHEMBL9655468 0.79 CES1 (0.55) NAPRTKDM4ECYP3A4ALDH1A1HPGD
SCHEMBL9565947 0.79 CES1 (0.55) NAPRTKDM4ECYP3A4CYP2C19ALDH1A1
SCHEMBL583454 0.78 CES1 (0.43) HPGDLMNAMLYCD
SCHEMBL584064 0.78 CES2 (0.43) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL9770781 0.78 CA2 (0.55) PKMALDH1A1HPGDMEN1KMT2A
SCHEMBL26907129 0.76 CES1 (0.60) PLOD2PLOD3PLOD1NAPRTKDM4E
SCHEMBL9770874 0.75 ALDH1A1 (0.48) CYP1A2CYP2C19ALDH1A1HPGDGAA

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 PLOD2 3978/4885PLOD3 1935/4885PLOD1 4367/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 PLOD2 4023/4885PLOD3 2487/4885PLOD1 3980/4885

“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.