SCHEMBL19375787

SCHEMBL19375787

COCc1ccc(NC(=O)[C@H](CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](C)N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 6/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ GAA P10253 1/20 0.36
▸ REN P00797 1/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35

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
SCHEMBL17531778 0.90 TAAR1 (0.43) LTA4HNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL22070158 0.86 TAAR1 (0.46) LTA4HRAB9ASMN1; SMN2TAAR1KMT2A
SCHEMBL17531777 0.82 MEN1 (0.44) RENHDAC8MEN1KMT2AHDAC3
SCHEMBL29449848 0.81 CTRB1 (0.39) LTA4HTAAR1
SCHEMBL25863209 0.81 JAK2 (0.44) NPC1RAB9ASMN1; SMN2RENHDAC8
SCHEMBL17531811 0.80 NAMPT (0.39) NPC1RAB9ASMN1; SMN2GAAREN
SCHEMBL25854489 0.80 REN (0.44) RENHDAC8MEN1KMT2A
SCHEMBL24797599 0.79 REN (0.46) RENHDAC8MEN1KMT2AHDAC4
SCHEMBL25854493 0.79 REN (0.46) RENHDAC8MEN1KMT2AHDAC4
SCHEMBL31720094 0.77 CTRB1 (0.40) TAAR1

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-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

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 LTA4H 733/4885NPC1 3985/4885RAB9A 886/4885
US-10682371-B2 Small molecule conjugates specifically activated in tumor microenvironment for targeting and use thereof MET, ARG1, CD4 LTA4H 486/4885NPC1 4472/4885RAB9A 401/4885

“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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