SCHEMBL6833402

SCHEMBL6833402

NC(=S)NCCCCCCO

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
CA12 O43570 3/20 0.58
CA9 Q16790 3/20 0.58
TDP1 Q9NUW8 1/20 0.39
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
IDO1 P14902 1/20 0.35
EPHX2 P34913 2/20 0.34
ACHE P22303 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 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
SCHEMBL5981765 1.00 CA1 (0.58) CA1CA2CA12CA9TDP1
SCHEMBL4510327 0.97
SCHEMBL3930021 0.90
SCHEMBL21127531 0.89 CA1 (0.42) CA1CA2CA12CA9ALDH1A1
SCHEMBL16024409 0.89 CA1 (0.42) CA1CA2CA12CA9ALDH1A1
SCHEMBL17453129 0.82 EPHX2 (0.39) CA1CA2CA12CA9ALDH1A1
SCHEMBL15328412 0.81 ALDH1A1 (0.43) CA1CA2CA12CA9TDP1
SCHEMBL17415916 0.80 PAOX (0.52) CA1CA2CA12CA9TSHR
SCHEMBL11809606 0.80 PAOX (0.52) CA1CA2CA12CA9TSHR
SCHEMBL1551057 0.78

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039850-A1 SYSTEM FOR DELIVERING THERAPEUTIC AGENTS INTO LIVING CELLS AND CELLS NUCLEI SABAG-RFA LTD. (IL) 2016-02-11 US disclosed
EP-1467981-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 Kylix Pharmaceuticals B.V. (NL) 2004-10-20 EP disclosed
WO-2003062215-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 KYLIX PHARMACEUTICALS B.V. (NL) 2003-07-31 WO 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-20160039850-A1 SYSTEM FOR DELIVERING THERAPEUTIC AGENTS INTO LIVING CELLS AND CELLS NUCLEI NFATC1, KPNA2, KPNA6 CA1 3699/4885CA2 3367/4885CA12 2691/4885

“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.