SCHEMBL21066903

SCHEMBL21066903

CC(C)(C)OC(=O)NCCCCCCN1CCCC[C@H](NC(=O)O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
EPHX1 P07099 1/20 0.42
DRD2 P14416 7/20 0.42
MMP1 P03956 3/20 0.41
MMP3 P08254 3/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
ACE P12821 1/20 0.40
SRC P12931 1/20 0.40
MAN2B1 O00754 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
SCHEMBL21066904 1.00 TDP1 (0.42) TDP1EPHX1DRD2MMP1MMP3
SCHEMBL23005330 0.96 EPHX1 (0.44) TDP1EPHX1DRD2MMP1MMP3
SCHEMBL23005331 0.96 EPHX1 (0.44) TDP1EPHX1DRD2MMP1MMP3
SCHEMBL19965191 0.94 F2 (0.46) TDP1EPHX1DRD2MMP1MMP3
SCHEMBL19965194 0.89 F2 (0.48) TDP1EPHX1DRD2MMP1MMP3
SCHEMBL28938876 0.89 F2 (0.48) TDP1EPHX1DRD2MMP1MMP3
SCHEMBL23005327 0.82 CHRM2 (0.41) TDP1EPHX1DRD2CHRM2CHRM4
SCHEMBL23005328 0.82 CHRM2 (0.41) TDP1EPHX1DRD2CHRM2CHRM4
SCHEMBL28507288 0.80 MAOA (0.43) TDP1EPHX1DRD2CHRM2CHRM4
SCHEMBL28507292 0.80 MAOA (0.43) TDP1EPHX1DRD2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11596615-B2 Compositions and methods for treatment of insulin resistance Temple University—Of the Commonwealth System of Higher Education (US) 2023-03-07 US disclosed
US-20210052532-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INSULIN RESISTANCE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-02-25 US disclosed
US-20210046030-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INSULIN RESISTANCE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-02-18 US disclosed
US-10729670-B2 Compositions and methods for treatment of insulin resistance Temple University—Of The Commonwealth Systems Of Higher Education (US) 2020-08-04 US disclosed
US-20190192462-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INSULIN RESISTANCE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2019-06-27 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 (5 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-20210052532-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INSULIN RESISTANCE GPR119, FABP4, SLC2A3 TDP1 4303/4885EPHX1 3242/4885DRD2 3667/4885
US-11596615-B2 Compositions and methods for treatment of insulin resistance GPR119, INSR, IAPP TDP1 4820/4885EPHX1 3824/4885DRD2 3657/4885
US-10729670-B2 Compositions and methods for treatment of insulin resistance GPR119, INSR, IAPP TDP1 4820/4885EPHX1 3824/4885DRD2 3657/4885
US-20190192462-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INSULIN RESISTANCE GPR119, INSR, IAPP TDP1 4820/4885EPHX1 3824/4885DRD2 3657/4885
US-20210046030-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INSULIN RESISTANCE GPR119, INSR, IAPP TDP1 4820/4885EPHX1 3824/4885DRD2 3657/4885

“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.