SCHEMBL22955424

SCHEMBL22955424

CCC(C)(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
CA9 Q16790 6/20 0.49
CA12 O43570 5/20 0.49
CA14 Q9ULX7 5/20 0.49
CA5A P35218 4/20 0.49
CA3 P07451 3/20 0.49
CA4 P22748 3/20 0.49
CA6 P23280 3/20 0.49
CA7 P43166 3/20 0.49
CA13 Q8N1Q1 3/20 0.49
CA5B Q9Y2D0 3/20 0.49
HSD11B1 P28845 1/20 0.45
MAPT P10636 3/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
ACHE P22303 2/20 0.44

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
SCHEMBL22952480 0.83 MAPT (0.45) CA1CA2CA9CA12CA14
SCHEMBL5018973 0.81 CA2 (0.55) CA1CA2CA9CA12CA14
SCHEMBL21364029 0.80 CA1 (0.44) CA1CA2CA9CA12CA14
SCHEMBL14242429 0.77 ENPP2 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL12143763 0.77 ALDH1A1 (0.50) CA1CA2CA9CA12CA5A
SCHEMBL30888176 0.77 CA2 (0.59) CA1CA2CA9CA12CA14
SCHEMBL9194140 0.76 CA1 (0.46) CA1CA2CA9CA12CA14
SCHEMBL9190432 0.76 CA1 (0.46) CA1CA2CA9CA12CA14
SCHEMBL24590174 0.76 ENPP2 (0.48) CA1CA2CA9CA12ALDH1A1
SCHEMBL18084499 0.76 PLCG1 (0.47) CA1CA2CA9CA12MMP1

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-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 US disclosed
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 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-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 CA1 3709/4885CA2 1001/4885CA9 2477/4885
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 CA1 3749/4885CA2 1511/4885CA9 1248/4885

“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.