SCHEMBL15328463

SCHEMBL15328463

CCC(NC(=S)NC)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ MAPT P10636 2/20 0.36
▸ MME P08473 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ FOLH1 Q04609 2/20 0.35
▸ NAALAD2 Q9Y3Q0 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 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
SCHEMBL5125262 0.78 FOLH1 (0.47) POLBMAPTMMEKDM4ETHRB
SCHEMBL12291138 0.77 FOLH1 (0.58) POLBGAAFOLH1NAALAD2KMT2A
SCHEMBL15154245 0.77 TGFBR1 (0.42) POLBMAPTMMEKDM4ETHRB
SCHEMBL28686955 0.75 POLB (0.46) POLBMAPTMMEKDM4ETHRB
SCHEMBL28670626 0.75 POLB (0.46) POLBMAPTMMEKDM4ETHRB
Lithium Ion SCHEMBL10935110 0.75 CA12 (0.47) POLBMAPTMMEKDM4ETHRB
SCHEMBL10933041 0.75 CA12 (0.47) POLBMAPTMMEKDM4ETHRB
SCHEMBL31410761 0.75 POLB (0.44) POLBMAPTMMEKDM4ETHRB
SCHEMBL27827362 0.75 POLB (0.44) POLBMAPTMMEKDM4ETHRB
SCHEMBL14063686 0.73 SMN1; SMN2 (0.53) SMN1; SMN2FOLH1

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-9169295-B2 Macrocycles and macrocycle stabilized peptides BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 — — US disclosed
EP-2627662-B1 METHODS FOR PREPARING MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL MYERS SQUIBB CO (US) 2015-09-16 — — EP disclosed
US-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-24 — — 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-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES PTMS, VIP, MTPN POLB 3115/4885MAPT 4372/4885MME 280/4885

“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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