SCHEMBL14058751

SCHEMBL14058751

NC(=O)C(N)CCSCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BHMT Q93088 11/20 0.69
▸ CYP2D6 P10635 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ NOS2 P35228 2/20 0.43
▸ NOS3 P29474 1/20 0.43
▸ NOS1 P29475 1/20 0.43
▸ BHMT2 Q9H2M3 1/20 0.43
▸ GMNN O75496 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9056803 0.85 BHMT (0.92) BHMTNOS2NOS3NOS1BHMT2
SCHEMBL1038668 0.85 BHMT (0.92) BHMTNOS2NOS3NOS1BHMT2
SCHEMBL1038667 0.85 BHMT (0.92) BHMTNOS2NOS3NOS1BHMT2
SCHEMBL8211206 0.78 CYP2D6 (0.48) BHMTCYP2D6HIF1ANOS2NOS3
SCHEMBL16087209 0.78 CYP2D6 (0.48) BHMTCYP2D6HIF1ANOS2NOS3
SCHEMBL6664390 0.77 BHMT (0.71) BHMTNOS2NOS3NOS1BHMT2
SCHEMBL24154514 0.75 NOS2 (0.47) BHMTNOS2NOS3NOS1BHMT2
Lysine SCHEMBL9746897 0.74 BHMT (0.72) BHMTNOS2NOS3NOS1BHMT2
SCHEMBL24153347 0.73 BHMT (0.39) BHMTNOS2NOS3NOS1BHMT2
SCHEMBL9802310 0.72 BHMT (0.38) BHMTNOS2NOS3NOS1BHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038480-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESERCH FOUNDATION INCORPORTED (US) 2015-02-05 — — US claimed
WO-2012162697-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2012-11-29 — — WO claimed
US-9629848-B2 Compounds that modulate autoimmunity and methods of using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-04-25 — — US disclosed
US-20150038480-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESERCH FOUNDATION INCORPORTED (US) 2015-02-05 — — US disclosed
WO-2012162697-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2012-11-29 — — 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-20150038480-A1 COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME HLA-DRB1, IAPP, CD74 BHMT 404/4885CYP2D6 3122/4885HIF1A 2256/4885

“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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