SCHEMBL21294752

SCHEMBL21294752

Cc1cccc(C2=CC[C@H](NC(=O)O)[C@@H](N=C=O)C2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.35
SLC5A1 P13866 1/20 0.33
MMP2 P08253 2/20 0.32
MMP3 P08254 2/20 0.32
NISCH Q9Y2I1 1/20 0.32
SLC9A1 P19634 1/20 0.32
ADAM10 O14672 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
DHODH Q02127 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMO O15229 1/20 0.31

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
SCHEMBL21306759 0.87 KAT6A (0.36)
SCHEMBL21294667 0.80 PIN1 (0.39) PIN1NISCHSLC9A1POLBMAPT
SCHEMBL21294766 0.78 PIN1 (0.37) PIN1SLC5A1MMP2MMP3NISCH
SCHEMBL21296540 0.78 PIN1 (0.37) PIN1SLC5A1MMP2MMP3NISCH
SCHEMBL21838571 0.76 CTSB (0.36) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL28503021 0.69 NISCH (0.34) NISCH
SCHEMBL21294874 0.69 KAT6A (0.38) POLBMAPTKMT2A
SCHEMBL29481998 0.69 KAT6A (0.38) POLBMAPTKMT2A
SCHEMBL21306729 0.67 KAT6A (0.38)
SCHEMBL21838568 0.67

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-11028075-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-06-08 US disclosed
US-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-29 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-20190263786-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF ASAH2, ACER2, PCSK9 PIN1 916/4885SLC5A1 33/4885MMP2 1197/4885
US-11028075-B2 Therapeutic compounds and methods of use thereof TRPV1, HCN4, TRPA1 PIN1 603/4885SLC5A1 170/4885MMP2 2955/4885

“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.