SCHEMBL5034675

SCHEMBL5034675

O=C(c1csc(N(C(=O)c2ccccc2Cl)c2ccc(OC(F)(F)F)cc2)n1)N1CCC(O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.43
HTR2C P28335 2/20 0.41
EPHX2 P34913 1/20 0.37
SCN9A Q15858 4/20 0.37
MGLL Q99685 2/20 0.37
TRPC3 Q13507 1/20 0.36
TRPC6 Q9Y210 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD11B1 P28845 1/20 0.34
PDK2 Q15119 1/20 0.34
HTR2B P41595 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 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
SCHEMBL5034677 1.00 LIPE (0.43) LIPEHTR2CEPHX2SCN9AMGLL
SCHEMBL5034825 0.91 EPHX2 (0.40) LIPEHTR2CEPHX2SCN9AMGLL
SCHEMBL5034827 0.91 EPHX2 (0.40) LIPEHTR2CEPHX2SCN9AMGLL
SCHEMBL5032557 0.90 PDK2 (0.39) LIPEHTR2CSCN9AMGLLSCN10A
SCHEMBL5032568 0.90 PDK2 (0.39) LIPEHTR2CSCN9AMGLLSCN10A
SCHEMBL5032598 0.88 RAB9A (0.44) LIPEHTR2CEPHX2MGLLTRPC3
SCHEMBL5034842 0.88 HTR2C (0.46) HTR2CMGLLTRPC3TRPC6ALDH1A1
SCHEMBL5032603 0.83 LIPE (0.41) LIPEEPHX2SCN9ATRPC3TRPC6
SCHEMBL5032539 0.82 KDM4E (0.43) LIPESCN10AALDH1A1HTTRAB9A
SCHEMBL5032540 0.80 HTR2C (0.42) HTR2CTRPC3TRPC6CNR1

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 LIPE 251/4885HTR2C 276/4885EPHX2 1229/4885

“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.