Sugi Predict

Sugi Predict / Compounds / SCHEMBL20685656

SCHEMBL20685656

SCHEMBL20685656

CC(C)C(=O)NC[C@@H](N)CCCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.42
▸ GNAI3 P08754 1/20 0.38
▸ GNAO1 P09471 1/20 0.38
▸ GNAI1 P63096 1/20 0.38
▸ DPP7 Q9UHL4 2/20 0.38
▸ RRM1 P23921 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ TLR2 O60603 2/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ GSR P00390 1/20 0.34
▸ ANPEP P15144 1/20 0.34
▸ DNPEP Q9ULA0 1/20 0.34
▸ PAOX Q6QHF9 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL22162694 1.00 MMP2 (0.42) MMP2GNAI3GNAO1GNAI1DPP7
SCHEMBL20685654 1.00 MMP2 (0.42) MMP2GNAI3GNAO1GNAI1DPP7
SCHEMBL20685655 0.89 DPP7 (0.40) MMP2GNAI3GNAO1GNAI1DPP7
SCHEMBL20685681 0.81 GABRP (0.39) MMP2DPP7ANPEPDNPEPCYP2D6
SCHEMBL21973389 0.81 PAOX (0.48) MMP2GNAI3GNAO1GNAI1DPP7
SCHEMBL20615612 0.81 PAOX (0.48) MMP2GNAI3GNAO1GNAI1DPP7
SCHEMBL21973387 0.80 ANPEP (0.34) MMP2DPP7ANPEPDNPEPCYP2D6
SCHEMBL21973384 0.79 TP53 (0.39) MMP2GNAI3GNAO1GNAI1DPP7
SCHEMBL23168318 0.78 MEN1 (0.42) MMP2GNAI3GNAO1GNAI1DPP7
SCHEMBL20685657 0.78 ANPEP (0.38) MMP2ANPEPDNPEPCYP2D6CYP2C9

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-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-04-01 — — US disclosed
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-10-15 — — US disclosed
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-25 — — US disclosed
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-05-21 — — US disclosed
US-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION UNIV RUTGERS (US) 2019-01-31 — — 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-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 MMP2 179/4885GNAI3 423/4885GNAO1 1768/4885
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC47A1, SLC47A2 MMP2 147/4885GNAI3 656/4885GNAO1 1756/4885
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 MMP2 845/4885GNAI3 412/4885GNAO1 1747/4885
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 MMP2 179/4885GNAI3 423/4885GNAO1 1768/4885
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 MMP2 820/4885GNAI3 896/4885GNAO1 1618/4885

“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.