SCHEMBL2057761

SCHEMBL2057761

CNC(=O)[C@@H]1CCCCOC1=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.36
MMP2 P08253 6/20 0.36
MMP3 P08254 6/20 0.36
MMP7 P09237 6/20 0.36
MMP1 P03956 5/20 0.36
GRM4 Q14833 1/20 0.34
MMP9 P14780 1/20 0.33
ADAM17 P78536 1/20 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
SCHEMBL2058327 1.00 FKBP1A (0.36) FKBP1AMMP2MMP3MMP7MMP1
SCHEMBL2057762 1.00 FKBP1A (0.36) FKBP1AMMP2MMP3MMP7MMP1
SCHEMBL2057726 0.94 MMP3 (0.36) FKBP1AMMP2MMP3MMP7MMP1
SCHEMBL2058089 0.94 MMP3 (0.36) FKBP1AMMP2MMP3MMP7MMP1
SCHEMBL2057725 0.94 MMP3 (0.36) FKBP1AMMP2MMP3MMP7MMP1
SCHEMBL3414464 0.79 FKBP1A (0.39) FKBP1A
SCHEMBL6048244 0.76 FKBP1A (0.36) FKBP1A
SCHEMBL2057797 0.75 FKBP1A (0.36) FKBP1A
SCHEMBL2058320 0.75 FKBP1A (0.36) FKBP1A
SCHEMBL2057754 0.75 FKBP1A (0.36) 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 FKBP1A 2819/4885MMP2 4426/4885MMP3 4490/4885
US-20080227857-A1 N-Alkylcarbonyl-Amino Acid Ester and N-Alkylcarbonyl-Amino Lactone Compounds and Their Use TRPA1, TRPV1, CYSLTR1 FKBP1A 3610/4885MMP2 4145/4885MMP3 4136/4885
US-20110160303-A1 N-ALKYLCARBONYL-AMINO ACID ESTER AND N-ALKYLCARBONYL-AMINO LACTONE COMPOUNDS AND THEIR USE TRPA1, TRPV1, CYSLTR1 FKBP1A 3610/4885MMP2 4145/4885MMP3 4136/4885

“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.