SCHEMBL2848163

SCHEMBL2848163

COc1cc(OC)c2nc(C(F)(F)F)cc(N3CCNCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.52
▸ ADRB2 P07550 2/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ AXL P30530 1/20 0.52
▸ HRH1 P35367 1/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ MKNK1 Q9BUB5 1/20 0.52
▸ MKNK2 Q9HBH9 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ NCF1 P14598 2/20 0.43
▸ ADRB1 P08588 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41

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
SCHEMBL13135663 0.87 KDM4E (0.64) ADRB2KDM4EALDH1A1HPGDTSHR
SCHEMBL2710541 0.84 ADRB2 (0.61) HTR6ADRB2ADRA2AHTR2CAXL
SCHEMBL2708405 0.80 ADRB2 (0.72) HTR6ADRB2ADRA2AHTR2CAXL
SCHEMBL2707478 0.78 ADRB2 (0.66) HTR6ADRB2ADRA2AHTR2CAXL
SCHEMBL2855235 0.74 ADRB2 (0.61) HTR6ADRB2ADRA2AHTR2CAXL
SCHEMBL2860220 0.74 KMT2A (0.41) KDM4EALDH1A1HPGDTSHRCASP1
SCHEMBL2711670 0.73 ADRB2 (0.67) HTR6ADRB2ADRA2AHTR2CAXL
SCHEMBL2859335 0.73 KMT2A (0.41) KDM4EALDH1A1HPGDTSHRCASP1
SCHEMBL2710256 0.72 ADRB2 (0.65) HTR6ADRB2ADRA2AHTR2CAXL
SCHEMBL2708060 0.71 ADRB2 (0.67) HTR6ADRB2ADRA2AHTR2CAXL

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 HTR6 1123/4885ADRB2 922/4885ADRA2A 1600/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 HTR6 1545/4885ADRB2 821/4885ADRA2A 1620/4885

“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.

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