SCHEMBL28548610

SCHEMBL28548610

COC(=O)c1ccc2c(c1)COCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
XDH P47989 1/20 0.45
WNT3A P56704 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PIR O00625 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 2/20 0.43
MGLL Q99685 1/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.41
GLA P06280 2/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL22980539 0.94 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL5503121 0.87 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL9644030 0.81 CA1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL5286604 0.80 ALDH1A1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL24159171 0.80 TSHR (0.47) PIRALDH1A1HSD17B10MGLLMAPT
SCHEMBL30539307 0.80 ALDH1A1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL28554091 0.79 PIR (0.41) CA12CA1CA2CA9PIR
SCHEMBL9310363 0.79 KDM4E (0.41) CA12CA1CA2CA7CA9
SCHEMBL2633409 0.78 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL883530 0.78 ALDH1A1 (0.61) CA12CA1CA2CA7CA9

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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 CN 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK CA12 2669/4885CA1 4400/4885CA2 1544/4885

“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.