SCHEMBL10101200

SCHEMBL10101200

COC(=O)C1CSCC(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BRD4 O60885 1/20 0.32

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
SCHEMBL14286751 0.79 HTT (0.33) KMT2A
SCHEMBL8974020 0.77 HTT (0.46) KMT2A
SCHEMBL5683288 0.77 HTT (0.46) KMT2A
SCHEMBL9201482 0.77 HTT (0.46) KMT2A
SCHEMBL23370679 0.77 ITGB3 (0.33) KMT2A
SCHEMBL13640171 0.76 KMT2A (0.50) KMT2AALOX12NPSR1BRD4
SCHEMBL13640173 0.75 KMT2A (0.49) KMT2AALOX12NPSR1
SCHEMBL16361273 0.74 KMT2A (0.60) KMT2AALOX12NPSR1BRD4
SCHEMBL4216297 0.72 KMT2A (0.44) KMT2A
SCHEMBL29284737 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041194-A1 NITROGEN AND SULFUR-CONTAINING HETROCYCLE DERIVATIVES TRIAD MULTITECH PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120041194-A1 NITROGEN AND SULFUR-CONTAINING HETROCYCLE DERIVATIVES TRIAD MULTITECH PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20110269953-A1 Nitrogen and Sulfur-Containing Heterocycle Derivatives ARMILLI MURTY N 2011-11-03 US disclosed
US-20110269953-A1 Nitrogen and Sulfur-Containing Heterocycle Derivatives ARMILLI MURTY N 2011-11-03 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 (2 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-20120041194-A1 NITROGEN AND SULFUR-CONTAINING HETROCYCLE DERIVATIVES HRH4, HNMT, TST KMT2A 3586/4885ALOX12 128/4885NPSR1 16/4885
US-20110269953-A1 Nitrogen and Sulfur-Containing Heterocycle Derivatives TST, HNMT, HRH4 KMT2A 2967/4885ALOX12 1373/4885NPSR1 20/4885

“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.