SCHEMBL21172189

SCHEMBL21172189

COc1cc(C(=O)C(C)C)cc(-c2ccc(C(=O)O)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.47
ACACA Q13085 2/20 0.47
ABCB11 O95342 1/20 0.47
ABCC1 P33527 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
CHEK1 O14757 1/20 0.47
RXRA P19793 2/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA3 P0DMS8 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
PIM3 Q86V86 2/20 0.40
CTRC Q99895 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL18019283 0.85 CHEK1 (0.50) ACACBACACAABCB11ABCC1ABCG2
SCHEMBL15131311 0.81 CHEK1 (0.47) ACACBACACAABCB11ABCC1ABCG2
SCHEMBL20257061 0.81 CHEK1 (0.47) ACACBACACAABCB11ABCC1ABCG2
SCHEMBL10212523 0.80 CHEK1 (0.46) ACACBACACAABCB11ABCC1ABCG2
SCHEMBL732334 0.80 CTRC (0.56) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2037182 0.77 LMNA (0.55) CHEK1RXRAKDM4EALDH1A1RAB9A
SCHEMBL899267 0.76 KDM4E (0.44) ACACBACACAABCB11ABCC1ABCG2
SCHEMBL22013885 0.75 KDM4E (0.51) KDM4EALDH1A1POLBGAA
SCHEMBL2041874 0.75 RXRA (0.54) CHEK1RXRAKDM4EALDH1A1RAB9A
SCHEMBL2345913 0.74 CHEK1 (0.54) CHEK1RXRAKDM4EALDH1A1RAB9A

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-10822335-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2020-11-03 US disclosed
US-20190218218-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2019-07-18 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-20190218218-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, ACACB, PC ACACB 2/4885ACACA 1/4885ABCB11 1688/4885
US-10822335-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors ACACA, ACACB, PC ACACB 2/4885ACACA 1/4885ABCB11 1764/4885

“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.