Sugi Predict

Sugi Predict / Compounds / SCHEMBL20006799

SCHEMBL20006799

SCHEMBL20006799

COC(=O)[C@@H]1C[C@H](O)[C@@H](C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.41
▸ ANPEP P15144 2/20 0.41
▸ CYP3A4 P08684 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NR1H2 P55055 2/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ PEPD P12955 1/20 0.37
▸ P2RX3 P56373 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PDE4B Q07343 1/20 0.34
▸ HTRA1 Q92743 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL14205631 0.88 PEPD (0.47) MMP2ANPEPCYP3A4CYP1A2POLB
SCHEMBL18462537 0.88 PEPD (0.47) MMP2ANPEPCYP3A4CYP1A2POLB
SCHEMBL882756 0.88 PEPD (0.47) MMP2ANPEPCYP3A4CYP1A2POLB
SCHEMBL114925 0.88 PEPD (0.47) MMP2ANPEPCYP3A4CYP1A2POLB
SCHEMBL18589421 0.88 PEPD (0.47) MMP2ANPEPCYP3A4CYP1A2POLB
SCHEMBL24645309 0.88 PEPD (0.47) MMP2ANPEPCYP3A4CYP1A2POLB
SCHEMBL16357004 0.88 PEPD (0.47) MMP2ANPEPCYP3A4CYP1A2POLB
SCHEMBL18117314 0.86 MMP2 (0.39) MMP2ANPEPCYP3A4CYP1A2POLB
SCHEMBL85695 0.85 CYP3A4 (0.53) MMP2ANPEPCYP3A4CYP1A2POLB
SCHEMBL5408514 0.85 CYP3A4 (0.53) MMP2ANPEPCYP3A4CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570131-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections MUTABILIS (FR) 2020-02-25 — — US disclosed
US-20180086761-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-03-29 — — US disclosed
US-20180086760-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-03-29 — — 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-10570131-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections NQO1, PEPD, LCT MMP2 333/4885ANPEP 320/4885CYP3A4 145/4885
US-20180086760-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS NQO1, PEPD, LCT MMP2 333/4885ANPEP 320/4885CYP3A4 145/4885
US-20180086761-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS NQO1, PEPD, BBOX1 MMP2 549/4885ANPEP 466/4885CYP3A4 258/4885

“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.