SCHEMBL14215853

SCHEMBL14215853

CNC(=N)NCCSSCCNC(=N)N

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
HIF1A Q16665 1/20 0.55
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30

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
Guanidinoethyldisulfide SCHEMBL145590 0.85 TSHR (0.69) TSHRHIF1AMEN1CYP1A2KMT2A
Guanidinoethyldisulfide SCHEMBL1321518 0.83 TSHR (0.67) TSHRHIF1AMEN1CYP1A2KMT2A
SCHEMBL13035000 0.79 TSHR (0.58) TSHRHIF1AMEN1CYP1A2KMT2A
SCHEMBL27499299 0.77 TSHR (0.60) TSHRHIF1AMEN1CYP1A2KMT2A
SCHEMBL12040362 0.77 TSHR (0.60) TSHRHIF1AMEN1CYP1A2KMT2A
SCHEMBL19224312 0.74 TSHR (0.30) TSHRHIF1A
SCHEMBL14619329 0.73 CYP1A2 (0.46) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL10311296 0.72 TSHR (0.53) TSHRHIF1AMEN1CYP1A2KMT2A
SCHEMBL7063396 0.72
SCHEMBL7125618 0.71 TSHR (0.53) TSHRHIF1AMEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108641-A1 Compounds for treating inflammatory disorders, demyelinating disdorders and cancers XANTHUS PHARMACEUTICALS, INC. 2008-05-08 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-20080108641-A1 Compounds for treating inflammatory disorders, demyelinating disdorders and cancers PMP22, PML, AQP4 TSHR 3130/4885HIF1A 3011/4885MEN1 57/4885

“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.