SCHEMBL13708641

SCHEMBL13708641

O=C(O)CCSCCC(=O)NC1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ HPGD P15428 6/20 0.47
▸ TSHR P16473 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ POLB P06746 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC10 Q969S8 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL10015691 0.81 ALDH1A1 (0.80) ALDH1A1LMNAKMT2AHPGDTSHR
SCHEMBL13544566 0.79 SMN1; SMN2 (0.65) ALDH1A1LMNAKMT2AHPGDSMN1; SMN2
SCHEMBL27892099 0.79 SMN1; SMN2 (0.72) ALDH1A1LMNAKMT2AHPGDTSHR
SCHEMBL4455867 0.78 SMN1; SMN2 (0.69) ALDH1A1LMNAKMT2AHPGDTSHR
SCHEMBL13708632 0.78 SMN1; SMN2 (0.69) ALDH1A1LMNAKMT2AHPGDTSHR
SCHEMBL10132085 0.76 SMN1; SMN2 (0.65) ALDH1A1LMNAKMT2AHPGDTSHR
SCHEMBL23080295 0.76 SMN1; SMN2 (0.50) ALDH1A1LMNAKMT2AHPGDTSHR
SCHEMBL9516460 0.74 ALDH1A1 (0.69) ALDH1A1LMNAKMT2AHPGDTSHR
SCHEMBL18536761 0.74 ALDH1A1 (0.88) ALDH1A1KMT2AHPGDTSHRSMN1; SMN2
E388 SCHEMBL28696 0.73 LMNA (1.00) ALDH1A1LMNAKMT2AHSD17B10TDP1

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
EP-1931327-B1 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2016-08-17 — — EP disclosed
US-8541362-B2 Cyclopropyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-09-24 — — US disclosed
US-8541362-B2 Cyclopropyl compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-09-24 — — US disclosed
US-20090220451-A1 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-09-03 — — US disclosed
US-20090220451-A1 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-09-03 — — US disclosed
WO-2007022532-A2 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-02-22 — — 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-20090220451-A1 CYCLOPROPYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS PAICS, ABCB4, ABCB11 ALDH1A1 2599/4885LMNA 367/4885KMT2A 4678/4885

“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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