SCHEMBL3469119

SCHEMBL3469119

CCCN(C(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 4/20 0.46
CA12 O43570 4/20 0.46
CA1 P00915 3/20 0.46
CA7 P43166 2/20 0.46
CA2 P00918 3/20 0.37
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CTSK P43235 2/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CTSS P25774 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
CA9 Q16790 1/20 0.30
CYP2D6 P10635 1/20 0.30
NAMPT P43490 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL18619385 0.89 CA14 (0.40) CA14CA12CA1CA7CA2
SCHEMBL25124098 0.87 CA14 (0.39) CA14CA12CA1CA7CA2
SCHEMBL24329847 0.87 CA14 (0.39) CA14CA12CA1CA7CA2
SCHEMBL18400312 0.86 CA14 (0.36) CA14CA12CA1CA7CA2
SCHEMBL13452140 0.85 CA14 (0.38) CA14CA12CA1CA7CA2
SCHEMBL12776500 0.85 CA14 (0.38) CA14CA12CA1CA7CA2
SCHEMBL12808019 0.85 CA14 (0.38) CA14CA12CA1CA7CA2
SCHEMBL25185999 0.85 CA14 (0.38) CA14CA12CA1CA7CA2
SCHEMBL16085369 0.85 CA14 (0.38) CA14CA12CA1CA7CA2
SCHEMBL1067066 0.84 CA14 (0.38) CA14CA12CA1CA7CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4046995-B1 1-HETEROCYCLYL ISOCHROMANYL COMPOUNDS AND ANALOGS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC (US) 2023-09-13 EP disclosed
US-20230277676-A1 CAMPTOTHECINE ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF ARES CAPITAL CORPORATION, AS COLLATERAL AGENT 2023-09-07 US disclosed
WO-2023055920-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2023-04-06 WO disclosed
US-11564989-B2 Camptothecine antibody-drug conjugates and methods of use thereof R.P. SCHERER TECHNOLOGIES, LLC (US) 2023-01-31 US disclosed
EP-4086249-A2 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME Trevena, Inc. (US) 2022-11-09 EP disclosed
EP-2175933-B1 TRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-08-22 EP disclosed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO disclosed
EP-2183221-A1 NEW COMPOUNDS AS HSP90 INHIBITORS Crystax Pharmaceuticals S.L. (ES) 2010-05-12 EP disclosed
WO-2009007399-A1 NEW COMPOUNDS AS HSP90 INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-01-15 WO 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 (2 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-20230277676-A1 CAMPTOTHECINE ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF DCTD, ADCY8, ADCY3 CA14 208/4885CA12 261/4885CA1 1135/4885
US-11564989-B2 Camptothecine antibody-drug conjugates and methods of use thereof DCTD, ADCY8, ADCY3 CA14 208/4885CA12 261/4885CA1 1135/4885

“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.