SCHEMBL3750871

SCHEMBL3750871

O=C(O)C1CSCN1C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.44
PREP P48147 4/20 0.42
GYS1 P13807 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA2 P00918 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PIK3CD O00329 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCB1 P08183 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
SCHEMBL10340335 1.00 ACE (0.44) ACEPREPGYS1L3MBTL1CA2
SCHEMBL10739647 0.84 PIK3CD (0.46) L3MBTL1ALDH1A1PIK3CDHPGDLMNA
SCHEMBL29053621 0.82 MEN1 (0.46) ACEALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL11202153 0.79 LMNA (0.40) ACEPREPALDH1A1MMP2MMP9
SCHEMBL11197968 0.79 PREP (0.49) ACEPREPL3MBTL1ALDH1A1LMNA
SCHEMBL11202154 0.79 LMNA (0.40) ACEPREPALDH1A1MMP2MMP9
SCHEMBL10470684 0.79 HTR1A (0.46) CA2ALDH1A1HPGDTSHR
SCHEMBL14397441 0.77 ACE (0.45) ACEPREPGYS1L3MBTL1
SCHEMBL3200492 0.77 FFAR2 (0.46) GYS1MMP2MMP9
SCHEMBL774094 0.77 FFAR2 (0.46) GYS1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703750-B2 Mixtures and methods for the induction of resistance in plants ISAGRO S.P.A. (IT) 2014-04-22 US disclosed
US-20100317519-A1 Mixtures and methods for the induction of resistance in plants ISAGRO S.P.A. (IT) 2010-12-16 US disclosed
US-20070173459-A1 Mixtures and methods for the induction of resistance in plants ISAGRO S.P.A. (IT) 2007-07-26 US disclosed
EP-1720408-A1 MIXTURES AND METHODS FOR THE INDUCTION OF RESISTANCE IN PLANTS ISAGRO S.p.A. (IT) 2006-11-15 EP disclosed
WO-2005094580-A1 MIXTURES AND METHODS FOR THE INDUCTION OF RESISTANCE IN PLANTS ISAGRO S.P.A. (IT) 2005-10-13 WO disclosed
US-4745124-A THIO/ESTER PEPTIDES UNIVERSITY OF MIAMI (US) 1988-05-17 US disclosed
EP-0036713-A2 Angiotensin converting enzyme inhibitors UNIVERSITY OF MIAMI (US) 1981-09-30 EP disclosed
US-4075219-A Epimerization process ELI LILLY AND COMPANY (US) 1978-02-21 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-20070173459-A1 Mixtures and methods for the induction of resistance in plants SLC11A2, MYD88, ME2 ACE 1249/4885PREP 2070/4885GYS1 2381/4885
US-20100317519-A1 Mixtures and methods for the induction of resistance in plants SLC11A2, MYD88, ME2 ACE 1249/4885PREP 2070/4885GYS1 2381/4885

“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.