SCHEMBL9756928

SCHEMBL9756928

Cc1cnccc1C=CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.50
CDK8 P49336 6/20 0.50
SIRT3 Q9NTG7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
NFKB1 P19838 1/20 0.42
CA4 P22748 1/20 0.42
P4HTM Q9NXG6 1/20 0.41
TBXAS1 P24557 2/20 0.41
ESR1 P03372 2/20 0.40
PIM2 Q9P1W9 1/20 0.39
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38

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
SCHEMBL9756927 1.00 CCNC (0.50) CCNCCDK8SIRT3TDP1KDM4E
SCHEMBL16827890 0.81 CCNC (0.55) CCNCCDK8SIRT3TDP1
SCHEMBL6363702 0.81 CCNC (0.55) CCNCCDK8SIRT3TDP1
SCHEMBL30034808 0.79 CCNC (0.59) CCNCCDK8CYP3A4CA1CA2
SCHEMBL23579958 0.79 MIF (0.53) CCNCCDK8KDM4EBLMNPSR1
SCHEMBL23580797 0.79 CCNC (0.73) CCNCCDK8KDM4EBLMNPSR1
SCHEMBL3549167 0.79 CCNC (0.50) CCNCCDK8TDP1KDM4EBLM
SCHEMBL23580798 0.79 CCNC (0.73) CCNCCDK8KDM4EBLMNPSR1
SCHEMBL22147601 0.79 CCNC (0.39) CCNCCDK8SIRT3TDP1CYP3A4
SCHEMBL9756964 0.79 CCNC (0.50) CCNCCDK8KDM4ECYP3A4CA1

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
US-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-20 US disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 WO disclosed
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 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 (1 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-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF ENPP1, ENPP3, PPA1 CCNC 4346/4885CDK8 1953/4885SIRT3 1312/4885

“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.