SCHEMBL2856504

SCHEMBL2856504

N[C@@H](CCCCNc1ccccc1[N+](=O)[O-])C(=O)N1CCSC1OC(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.39
KMT2A Q03164 2/20 0.36
DPP7 Q9UHL4 3/20 0.36
DPP4 P27487 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HDAC1 Q13547 1/20 0.35
DPP8 Q6V1X1 3/20 0.34
DPP9 Q86TI2 3/20 0.34
CCR3 P51677 1/20 0.33

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
SCHEMBL2849762 0.88 DPP4 (0.52) KMT2ADPP7DPP4NPC1RAB9A
SCHEMBL2851859 0.81 DPP4 (0.35) DPP7DPP4DPP8DPP9
Trifluoroacetic Acid SCHEMBL2856502 0.77 DPP4 (0.52) KAT2BDPP7DPP4DPP8DPP9
SCHEMBL9300700 0.71 KAT2B (0.60) KAT2BKMT2ANPC1RAB9AMAPT
SCHEMBL9300696 0.71 KAT2B (0.60) KAT2BKMT2ANPC1RAB9AMAPT
SCHEMBL27599214 0.71 KAT2B (0.50) KAT2BKMT2ADPP7DPP4NPC1
SCHEMBL27599212 0.71 KAT2B (0.50) KAT2BKMT2ADPP7DPP4NPC1
Hydrochloric Acid SCHEMBL10437435 0.70 KAT2B (0.61) KAT2BKMT2ANPC1RAB9AMAPT
SCHEMBL6200169 0.65 KAT2B (0.81) KAT2BKMT2ANPC1RAB9AMAPT
Trifluoroacetic Acid SCHEMBL2849759 0.65 DPP4 (0.59) DPP7DPP4NPC1RAB9AMAPT

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 KAT2B 2306/4885KMT2A 1595/4885DPP7 2/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 KAT2B 2626/4885KMT2A 1883/4885DPP7 2/4885

“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.