SCHEMBL13196227

SCHEMBL13196227

NC(=O)NCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.45
▸ TPSAB1 Q15661 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SIRT5 Q9NXA8 2/20 0.44
▸ PTPN1 P18031 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ SIRT1 Q96EB6 4/20 0.42
▸ SIRT2 Q8IXJ6 4/20 0.42
▸ SIRT3 Q9NTG7 3/20 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
SCHEMBL29371674 1.00 TLR2 (0.45) TLR2TPSAB1KMT2ASIRT5PTPN1
SCHEMBL13311052 1.00 TLR2 (0.45) TLR2TPSAB1KMT2ASIRT5PTPN1
SCHEMBL23477323 0.94 TLR2 (0.45) TLR2KMT2APTPN1SIRT1SIRT2
SCHEMBL16450347 0.94 PTPN1 (0.48) KMT2ASIRT5PTPN1
SCHEMBL30895476 0.93 PTPN1 (0.51) TLR2SIRT5PTPN1
SCHEMBL31681555 0.92 KMT2A (0.43) TLR2TPSAB1KMT2ASIRT5PTPN1
SCHEMBL25148139 0.92 KMT2A (0.43) TLR2TPSAB1KMT2ASIRT5PTPN1
SCHEMBL29649468 0.92 TLR2 (0.45) TLR2TPSAB1KMT2ASIRT5PTPN1
SCHEMBL26015800 0.92 TLR2 (0.45) TLR2TPSAB1KMT2ASIRT5PTPN1
SCHEMBL17813684 0.92 TLR2 (0.45) TLR2TPSAB1KMT2ASIRT5PTPN1

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-9724426-B2 Agents, uses and methods AFFINICON APS (DK) 2017-08-08 — — US disclosed
US-20120258107-A1 Agents, Uses and Methods CYTOGUIDE APS (DK) 2012-10-11 — — US disclosed
US-20100092496-A1 CHEMICAL LINKERS AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-04-15 — — US disclosed
US-7691962-B2 Chemical linkers and conjugates thereof MEDAREX, INC. (US) 2010-04-06 — — US disclosed
US-20080279868-A1 Antibody-Drug Conjugates and Methods of Use MEDAREX, INC. (US) 2008-11-13 — — 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 (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-20080279868-A1 Antibody-Drug Conjugates and Methods of Use CD47, ANTXR2, CD2BP2 TLR2 3383/4885TPSAB1 2027/4885KMT2A 2408/4885
US-20100092496-A1 CHEMICAL LINKERS AND CONJUGATES THEREOF CLSPN, CD74, ANTXR2 TLR2 2508/4885TPSAB1 3862/4885KMT2A 3304/4885

“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