SCHEMBL2852407

SCHEMBL2852407

FC(F)(F)c1cc(C2CCNCC2)n(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 11/20 0.50
PTGS1 P23219 1/20 0.50
ORAI1 Q96D31 4/20 0.49
PLAT P00750 1/20 0.49
DPP4 P27487 1/20 0.48
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KHK P50053 1/20 0.43

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
Hydrochloric Acid SCHEMBL16827673 0.86 PTGS1 (0.51) CRACR2APTGS1ORAI1PLATTSHR
SCHEMBL13135668 0.83 CRACR2A (0.52) CRACR2APTGS1ORAI1DPP4KDM4E
SCHEMBL16845859 0.79 SMYD3 (0.49) ALDH1A1HPGDKHK
SCHEMBL19308648 0.78 DPP4 (0.54) CRACR2AORAI1DPP4KDM4EALDH1A1
SCHEMBL1880912 0.76 CRACR2A (0.56) CRACR2APTGS1ORAI1KDM4EALDH1A1
SCHEMBL626659 0.76 CRACR2A (0.56) CRACR2APTGS1ORAI1KDM4EALDH1A1
SCHEMBL1667944 0.76 CRACR2A (0.56) CRACR2AORAI1KDM4EALDH1A1HPGD
SCHEMBL30677204 0.76 CRACR2A (0.53) CRACR2AORAI1
SCHEMBL5214306 0.76 PLAT (0.54) PLATTSHR
SCHEMBL1668441 0.75 CRACR2A (0.65) CRACR2AORAI1

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-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
CN-100341862-C Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORP (JP) 2007-10-10 CN disclosed
CN-1606549-A Thiazolidine derivative and medical application thereof MITSUBISHI PHARMA CORP (JP) 2005-04-13 CN 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 CRACR2A 4739/4885PTGS1 1656/4885ORAI1 4207/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 CRACR2A 4778/4885PTGS1 795/4885ORAI1 4128/4885

“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.