SCHEMBL17486406

SCHEMBL17486406

CC(=O)c1ccc(C[C@H](NC(=O)c2csc3cc(OC(=O)c4ccc(N/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc4)ccc23)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.38
▸ TDP1 Q9NUW8 7/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ NPSR1 Q6W5P4 4/20 0.38
▸ CACNA1B Q00975 6/20 0.35
▸ ITGB3 P05106 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGAV P06756 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ ITGB5 P18084 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ATM Q13315 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ NTSR1 P30989 1/20 0.32
▸ NPR3 P17342 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL17450000 0.90 MAPT (0.36) MAPTTDP1KDM4ENPSR1ITGB3
SCHEMBL17486460 0.87 MAPT (0.40) MAPTTDP1KDM4ENPSR1CACNA1B
SCHEMBL17486398 0.86 MAPT (0.41) MAPTTDP1KDM4ENPSR1CACNA1B
SCHEMBL16355907 0.81 MAPT (0.47) MAPTTDP1KDM4ENPSR1MEN1
SCHEMBL17486476 0.77 PRSS1 (0.31) PPARGPPARA
SCHEMBL17486416 0.77 PRSS1 (0.32) —
SCHEMBL17486458 0.77 LY96 (0.44) MAPTTDP1POLB
SCHEMBL17486434 0.76 PRSS1 (0.35) —
SCHEMBL16355844 0.76 PRSS1 (0.48) MAPTTDP1KDM4ENPSR1CACNA1B
SCHEMBL15876070 0.76 PRSS1 (0.51) MAPTTDP1KDM4ENPSR1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969709-B2 Guanidinobenzoic acid ester compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-15 — — US disclosed
US-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND ASTELLAS PHARMA INC. (JP) 2016-02-04 — — 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 (1 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-20160031847-A1 GUANIDINOBENZOIC ACID ESTER COMPOUND SERPINB1, REN, SPINT2 MAPT 2721/4885TDP1 2042/4885KDM4E 2754/4885

“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.

Send feedback