SCHEMBL16019036

SCHEMBL16019036

CCN1CCN(C(=O)NC(C(=O)O)c2cccc(C(C)(C)C)c2)C(=O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ CTSL P07711 3/20 0.35
▸ MAPT P10636 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ SLC22A8 Q8TCC7 1/20 0.33
▸ SLC22A11 Q9NSA0 1/20 0.33
▸ TACR3 P29371 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ BCHE P06276 2/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL8597022 0.85 ATM (0.42) POLBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL7828421 0.85 ATM (0.42) POLBMAPTPDE3ASLC22A6SLC22A8
Water SCHEMBL8600954 0.84 ATM (0.42) POLBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL11088568 0.82 RORC (0.39) POLBHDAC1HDAC2BACE1ATM
SCHEMBL11088569 0.82 RORC (0.39) POLBHDAC1HDAC2BACE1ATM
SCHEMBL11088574 0.82 RORC (0.39) POLBHDAC1HDAC2BACE1ATM
SCHEMBL10490774 0.81 YARS1 (0.42) POLBMAPTPDE3ASLC22A6SLC22A8
SCHEMBL11083541 0.80 ATM (0.35) POLBHDAC1HDAC2ATM
SCHEMBL11083551 0.80 BRD4 (0.38) KEAP1NFE2L2POLBHDAC1HDAC2
SCHEMBL11083550 0.80 ATM (0.35) POLBHDAC1HDAC2ATM

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-9290515-B2 Cephem derivative having catechol group SHIONOGI & CO., LTD (JP) 2016-03-22 — — US disclosed
US-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2014-09-11 — — 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-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP COMT, CEP170, SLC6A3 KEAP1 302/4885NFE2L2 305/4885POLB 2722/4885

“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.

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