SCHEMBL5032568

SCHEMBL5032568

O=C(c1csc(N(C(=O)c2ccc(F)cc2Cl)c2ccc(OC(F)(F)F)cc2)n1)N1CCC(O)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.39
SCN9A Q15858 5/20 0.37
HTR2C P28335 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
HSD11B1 P28845 2/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
ABL1 P00519 4/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
BCR P11274 1/20 0.34
MGLL Q99685 1/20 0.34
LIPE Q05469 2/20 0.34

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
SCHEMBL5032557 1.00 PDK2 (0.39) PDK2SCN9AHTR2CSCN10AHSD11B1
SCHEMBL5034825 0.93 EPHX2 (0.40) SCN9AHTR2CSCN10AABL1KMT2A
SCHEMBL5034827 0.93 EPHX2 (0.40) SCN9AHTR2CSCN10AABL1KMT2A
SCHEMBL5034675 0.90 LIPE (0.43) PDK2SCN9AHTR2CSCN10AHSD11B1
SCHEMBL5034677 0.90 LIPE (0.43) PDK2SCN9AHTR2CSCN10AHSD11B1
SCHEMBL5032536 0.84 EPHX2 (0.39) PDK2SCN9AHSD11B1ALDH1A1KMT2A
SCHEMBL5032540 0.83 HTR2C (0.42) HTR2CKMT2A
SCHEMBL5032538 0.83 HTR2C (0.42) HTR2CKMT2A
SCHEMBL5032717 0.83 HTR2C (0.42) HTR2CKMT2A
SCHEMBL5038957 0.83 LDHA (0.39) SCN10AKMT2A

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-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US claimed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US claimed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US 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 (1 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-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 PDK2 1307/4885SCN9A 2018/4885HTR2C 276/4885

“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.