SCHEMBL16985958

SCHEMBL16985958

CCC(=O)Nc1ccc2c(-c3ccccc3C(=O)O)c3ccc(=N)cc-3oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.56
▸ USP2 O75604 2/20 0.55
▸ CFTR P13569 1/20 0.55
▸ PAX8 Q06710 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ GOPC Q9HD26 1/20 0.55
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL10013900 0.89 ABCB1 (0.59) ABCB1USP2CFTRPAX8ATM
SCHEMBL14350757 0.87 ABCB1 (0.61) ABCB1USP2CFTRPAX8ATM
SCHEMBL20111367 0.83 ABCB1 (0.47) ABCB1USP2CFTRPAX8ATM
SCHEMBL13966918 0.81 ABCB1 (0.61) ABCB1USP2CFTRPAX8ATM
SCHEMBL4572003 0.81 SMN1; SMN2 (0.55) ABCB1USP2CFTRPAX8ATM
SCHEMBL12192025 0.81 ABCB1 (0.50) ABCB1USP2CFTRPAX8ATM
SCHEMBL13179036 0.80 ABCB1 (0.56) ABCB1USP2CFTRPAX8ATM
SCHEMBL14071809 0.80 USP2 (0.59) ABCB1USP2CFTRPAX8ATM
SCHEMBL16232679 0.80 ABCB1 (0.58) ABCB1USP2CFTRPAX8ATM
SCHEMBL15006531 0.80 ABCB1 (0.74) ABCB1USP2CFTRPAX8ATM

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-9841426-B2 Intracellular organelle peptide targeted enzyme substrates MARKER GENE TECHNOLOGIES, INC (US) 2017-12-12 — — US disclosed
US-20150219654-A1 INTRACELLULAR ORGANELLE PEPTIDE TARGETED ENZYME SUBSTRATES MARKER GENE TECHNOLOGIES, INC. 2015-08-06 — — 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-20150219654-A1 INTRACELLULAR ORGANELLE PEPTIDE TARGETED ENZYME SUBSTRATES GLG1, GBA3, MIA3 ABCB1 3906/4885USP2 1294/4885CFTR 4067/4885

“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