SCHEMBL20169264

SCHEMBL20169264

CC(C)Nc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 17/20 0.65
CA2 P00918 17/20 0.65
CA9 Q16790 14/20 0.65
CA12 O43570 13/20 0.61
CA7 P43166 3/20 0.57
CA14 Q9ULX7 3/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA5A P35218 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 1/20 0.52

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
SCHEMBL14509390 0.83 ALDH1A1 (0.53) CA1CA2CA9CA12ALDH1A1
SCHEMBL25033056 0.81 CA1 (0.57) CA1CA2CA9CA12CA7
SCHEMBL13589509 0.81 TDP1 (0.48) CA1CA2CA9ALDH1A1
SCHEMBL24714992 0.81 TDP1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL13588732 0.79 TDP1 (0.46) CA1CA2CA9CA12ALDH1A1
SCHEMBL8761539 0.79 TDP1 (0.46) CA1CA2CA9CA12ALDH1A1
SCHEMBL27485395 0.78 CA2 (0.55) CA1CA2CA9CA12CA7
SCHEMBL27327537 0.77 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL39430 0.76 TDP1 (0.72) CA1CA2CA9CA12ALDH1A1
SCHEMBL21104560 0.76 CA2 (0.63) CA1CA2CA9CA12CA7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105061362-A Preparation method of bentazon JIANGSU TAICANG AGRICULTURAL CHEMICALS CO LTD 2015-11-18 CN claimed
CN-117794924-A Compounds useful as inhibitors of ATR kinase 苏州爱科百发生物医药技术有限公司 2024-03-29 CN disclosed
US-11325905-B2 Imidopiperidine compounds as inhibitors of human polynucleotide kinase phosphatase THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-05-10 US disclosed
US-20200148675-A1 IMIDOPIPERIDINE COMPOUNDS AS INHIBITORS OF HUMAN POLYNUCLEOTIDE KINASE PHOSPHATASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2020-05-14 US disclosed
US-9975905-B2 Derivatized 3-styryl-cephalosporins GLADIUS PHARMACEUTICALS CORPORATION (CA) 2018-05-22 US disclosed
CN-105061362-A Preparation method of bentazon JIANGSU TAICANG AGRICULTURAL CHEMICALS CO LTD 2015-11-18 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 (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-11325905-B2 Imidopiperidine compounds as inhibitors of human polynucleotide kinase phosphatase PNKP, PPM1A, PPM1B CA1 4676/4885CA2 3139/4885CA9 4521/4885
US-20200148675-A1 IMIDOPIPERIDINE COMPOUNDS AS INHIBITORS OF HUMAN POLYNUCLEOTIDE KINASE PHOSPHATASE PNKP, PPM1A, PPM1B CA1 4676/4885CA2 3139/4885CA9 4521/4885

“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.