SCHEMBL5718258

SCHEMBL5718258

N[C@@H](Cc1ccccc1)C(O)C(=O)NC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
EPHX2 P34913 3/20 0.55
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
LAP3 P28838 2/20 0.52
ANPEP P15144 1/20 0.52
RNPEP Q9H4A4 1/20 0.52
DNPEP Q9ULA0 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
EPHX1 P07099 3/20 0.51
HPGD P15428 2/20 0.51
METAP2 P50579 1/20 0.50
METAP1 P53582 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 1/20 0.49

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
Hydrochloric Acid SCHEMBL17596474 0.99 TDP1 (0.58) TDP1EPHX2ALDH1A1SMN1; SMN2LAP3
SCHEMBL8001760 0.99 TDP1 (0.57) TDP1EPHX2ALDH1A1SMN1; SMN2LAP3
SCHEMBL8001145 0.96 TDP1 (0.54) TDP1EPHX2ALDH1A1SMN1; SMN2LAP3
Hydrochloric Acid SCHEMBL4394524 0.95 TDP1 (0.53) TDP1EPHX2ALDH1A1SMN1; SMN2LAP3
SCHEMBL21554929 0.93 LAP3 (0.56) TDP1EPHX2ALDH1A1SMN1; SMN2LAP3
SCHEMBL10085519 0.93 LAP3 (0.56) TDP1EPHX2ALDH1A1SMN1; SMN2LAP3
SCHEMBL20027600 0.93 LAP3 (0.56) TDP1EPHX2ALDH1A1SMN1; SMN2LAP3
Hydrochloric Acid SCHEMBL288950 0.92 LAP3 (0.54) TDP1EPHX2ALDH1A1SMN1; SMN2LAP3
Hydrochloric Acid SCHEMBL3841624 0.92 LAP3 (0.54) TDP1EPHX2ALDH1A1SMN1; SMN2LAP3
Hydrochloric Acid SCHEMBL289721 0.92 LAP3 (0.54) TDP1EPHX2ALDH1A1SMN1; SMN2LAP3

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-20190270770-A1 DIPEPTIDYL KETOAMIDE COMPOUNDS AND THEIR USE FOR THE TREATMENT AND/OR PREVENTION OF FAT ACCUMULATION LANDSTEINER GENMED S L 2019-09-05 US disclosed
US-10294269-B2 Dipeptidyl ketoamide compounds and their use for the treatment and/or prevention of fat accumulation LANDSTEINER GENMED, S.L. (ES) 2019-05-21 US disclosed
EP-1008592-B1 Cyclic amide derivatives which inhibit cathepsin K SEIKAGAKU KOGYO CO LTD (JP) 2006-02-01 EP disclosed
US-6117870-A USEFUL AS THERAPEUTIC DRUG OR PREVENTIVE DRUG OF ARTHRITIS AND RHEUMATISM DUE TO INCREASE OF BONE RESORPTION IN ADDITION TO BONE DISEASES SUCH AS OSTEOPOROSIS, HYPERCALCEMIA, AND PAGET'S DISEASE FUJIREBIO KABUSHIKI KAISHA (JP) 2000-09-12 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-10294269-B2 Dipeptidyl ketoamide compounds and their use for the treatment and/or prevention of fat accumulation DPP4, DPP3, DPP8 TDP1 1736/4885EPHX2 3119/4885ALDH1A1 1198/4885
US-20190270770-A1 DIPEPTIDYL KETOAMIDE COMPOUNDS AND THEIR USE FOR THE TREATMENT AND/OR PREVENTION OF FAT ACCUMULATION DPP4, DPP3, DPP8 TDP1 1736/4885EPHX2 3119/4885ALDH1A1 1198/4885

“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.