SCHEMBL19019937

SCHEMBL19019937

COCCOCC(=O)NCCCC[C@H](N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OTC P00480 1/20 0.50
▸ DDAH1 O94760 2/20 0.47
▸ NOD1 Q9Y239 2/20 0.41
▸ GLP1R P43220 5/20 0.41
▸ TSHR P16473 2/20 0.41
▸ NOS2 P35228 4/20 0.40
▸ NOS1 P29475 3/20 0.40
▸ NOS3 P29474 2/20 0.40
▸ GSR P00390 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ BLM P54132 1/20 0.39

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
SCHEMBL1951953 1.00 OTC (0.50) OTCDDAH1NOD1GLP1RTSHR
SCHEMBL1953200 0.99 OTC (0.49) OTCDDAH1NOD1GLP1RTSHR
SCHEMBL30409031 0.99 OTC (0.49) OTCDDAH1NOD1GLP1RTSHR
SCHEMBL24788157 0.96 OTC (0.47) OTCDDAH1NOD1GLP1RTSHR
SCHEMBL24788082 0.91 GLP1R (0.45) OTCDDAH1NOD1GLP1RTSHR
SCHEMBL2509381 0.90 DDAH1 (0.43) OTCDDAH1NOD1TSHRNOS2
SCHEMBL13585793 0.90 DDAH1 (0.43) OTCDDAH1NOD1TSHRNOS2
SCHEMBL3043120 0.89 DDAH1 (0.43) OTCDDAH1GLP1RTSHRNOS2
SCHEMBL24229748 0.88 OTC (0.49) OTCDDAH1NOD1GLP1RTSHR
SCHEMBL21738833 0.88 OTC (0.49) OTCDDAH1NOD1GLP1RTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078273-A1 SPECIFIC CONJUGATION FOR AN ANTIBODY-DRUG CONJUGATE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-05-11 — — WO disclosed
US-10682371-B2 Small molecule conjugates specifically activated in tumor microenvironment for targeting and use thereof YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOGY CO. LTD. (CN) 2020-06-16 — — US disclosed
US-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOGY CO. LTD. (CN) 2017-09-21 — — US disclosed
EP-3184540-A1 SPECIFICALLY ACTIVATED MICROMOLECULAR TARGET COUPLING BODY IN TUMOR MICROENVIRONMENT AND USE THEREOF Yafei Shanghai Biolog Medicine Science& Technology (CN) 2017-06-28 — — EP 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-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF CD4, MET, TNFSF10 OTC 4145/4885DDAH1 3230/4885NOD1 558/4885
US-10682371-B2 Small molecule conjugates specifically activated in tumor microenvironment for targeting and use thereof MET, ARG1, CD4 OTC 4204/4885DDAH1 1837/4885NOD1 377/4885

“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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