SCHEMBL2058089

SCHEMBL2058089

CNC(=O)[C@H]1CCCOC1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.36
MMP2 P08253 3/20 0.36
MMP7 P09237 3/20 0.36
RECQL P46063 1/20 0.34
FKBP1A P62942 2/20 0.34
ADAM17 P78536 4/20 0.33
MMP9 P14780 3/20 0.33
MMP1 P03956 3/20 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
SCHEMBL2057725 1.00 MMP3 (0.36) MMP3MMP2MMP7RECQLFKBP1A
SCHEMBL2057726 1.00 MMP3 (0.36) MMP3MMP2MMP7RECQLFKBP1A
SCHEMBL2058327 0.94 FKBP1A (0.36) MMP3MMP2MMP7FKBP1AADAM17
SCHEMBL2057761 0.94 FKBP1A (0.36) MMP3MMP2MMP7FKBP1AADAM17
SCHEMBL2057762 0.94 FKBP1A (0.36) MMP3MMP2MMP7FKBP1AADAM17
SCHEMBL535757 0.78 FKBP1A (0.36) FKBP1A
SCHEMBL2707058 0.77 FKBP1A (0.36) FKBP1A
SCHEMBL10567776 0.75 FKBP1A (0.34) FKBP1A
SCHEMBL20913009 0.74 FKBP1A (0.35) FKBP1A
SCHEMBL2058293 0.74 FKBP1A (0.33) FKBP1A

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-8258320-B2 N alkylcarbonyl amino lactone compounds and their use WEI EDWARD TAK (US) 2012-09-04 US disclosed
US-20120184608-A1 N alkylcarbonyl amino lactone compounds and their use WEI EDWARD TAK (US) 2012-07-19 US disclosed
US-20110160303-A1 N-ALKYLCARBONYL-AMINO ACID ESTER AND N-ALKYLCARBONYL-AMINO LACTONE COMPOUNDS AND THEIR USE EDWARD TAK WEI 2011-06-30 US disclosed
US-20080227857-A1 N-Alkylcarbonyl-Amino Acid Ester and N-Alkylcarbonyl-Amino Lactone Compounds and Their Use WEI EDWARD TAK 2008-09-18 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 (3 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-20120184608-A1 N alkylcarbonyl amino lactone compounds and their use TRPA1, TRPV1, TAS2R14 MMP3 4490/4885MMP2 4426/4885MMP7 3630/4885
US-20080227857-A1 N-Alkylcarbonyl-Amino Acid Ester and N-Alkylcarbonyl-Amino Lactone Compounds and Their Use TRPA1, TRPV1, CYSLTR1 MMP3 4136/4885MMP2 4145/4885MMP7 3265/4885
US-20110160303-A1 N-ALKYLCARBONYL-AMINO ACID ESTER AND N-ALKYLCARBONYL-AMINO LACTONE COMPOUNDS AND THEIR USE TRPA1, TRPV1, CYSLTR1 MMP3 4136/4885MMP2 4145/4885MMP7 3265/4885

“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.