SCHEMBL5639800

SCHEMBL5639800

C[Sn](C)(C)c1csc(N2CCCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ RAB9A P51151 3/20 0.46
▸ POLB P06746 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PIK3CG P48736 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ BLM P54132 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ DPP4 P27487 1/20 0.34
▸ GAA P10253 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
SCHEMBL2698733 0.83 LMNA (0.58) ARSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL4469579 0.79 SMN1; SMN2 (0.53) ARSMN1; SMN2TP53HSD17B10ALOX15
SCHEMBL3511935 0.77 L3MBTL1 (0.54) ARSMN1; SMN2TP53HSD17B10ALOX15
SCHEMBL18674672 0.73 AR (0.54) ARSMN1; SMN2TP53HSD17B10ALOX15
SCHEMBL17266285 0.73 AR (0.54) ARSMN1; SMN2TP53HSD17B10ALOX15
SCHEMBL22334869 0.73 AR (0.54) ARSMN1; SMN2TP53HSD17B10ALOX15
SCHEMBL18674673 0.73 AR (0.54) ARSMN1; SMN2TP53HSD17B10ALOX15
SCHEMBL4472290 0.73 L3MBTL1 (0.54) ARSMN1; SMN2TP53HSD17B10ALOX15
SCHEMBL2624023 0.72 RAB9A (0.58) ARSMN1; SMN2TP53HSD17B10ALOX15
SCHEMBL28910899 0.72 SMN1; SMN2 (0.53) ARSMN1; SMN2TP53HSD17B10ALOX15

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-7173137-B2 Epothilone analogs THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-06 — — US disclosed
US-20040127432-A1 Epothilone analogs THE SCRIPPS RESEARCH INSTITUTE 2004-07-01 — — US disclosed
US-6660758-B1 Prevention of mitosis; induction and stabilization of microtubules THE SCRIPPS RESEARCH INSTITUTE 2003-12-09 — — US disclosed
US-6441186-B1 ANTICANCER AGENTS; PREVENTION OF MITOSIS THROUGH INDUCTION AND STABILIZATION OF MICROTUBULIN ASSEMBLY; SUPERIOR CYTOTOXIC ACTIVITIES THE SCRIPPS RESEARCH INSTITUTE 2002-08-27 — — US disclosed
EP-0944634-A1 EPOTHILONE ANALOGS Novartis AG (CH) 1999-09-29 — — EP disclosed
WO-1998025929-A1 EPOTHILONE ANALOGS NOVARTIS AG (CH) 1998-06-18 — — 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-20040127432-A1 Epothilone analogs TUBB8B, TUBB1, TUBA1B AR 2992/4885SMN1; SMN2 1659/4885TP53 418/4885

“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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