SCHEMBL19004039

SCHEMBL19004039

Nc1ccccc1C(=O)c1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
NT5E P21589 3/20 0.43
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 5/20 0.42
CASP6 P55212 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
TTR P02766 1/20 0.38
NSD2 O96028 2/20 0.37
DUSP3 P51452 2/20 0.37
PTPN5 P54829 2/20 0.37
PTPN11 Q06124 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
APEX1 P27695 1/20 0.37

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
SCHEMBL6562746 0.81 TIMP3 (0.50) CYP1A2AURKAAURKBNT5EALDH1A1
SCHEMBL27425328 0.80 CASP6 (0.45) CYP1A2NT5EALDH1A1HSD17B10CASP6
SCHEMBL27429737 0.79 NT5E (0.50) CYP1A2NT5EALDH1A1HSD17B10CASP6
SCHEMBL29706553 0.79 AURKA (0.62) CYP1A2AURKAAURKBNT5EALDH1A1
SCHEMBL10539390 0.79 AURKA (0.62) CYP1A2AURKAAURKBNT5EALDH1A1
SCHEMBL156092 0.79 AURKA (0.62) CYP1A2AURKAAURKBNT5EALDH1A1
SCHEMBL10539372 0.77 AURKA (0.60) CYP1A2AURKAAURKBNT5EALDH1A1
SCHEMBL445795 0.77 AURKA (0.60) CYP1A2AURKAAURKBNT5EALDH1A1
Aniline SCHEMBL10587235 0.77 AURKA (0.57) CYP1A2AURKAAURKBNT5EALDH1A1
SCHEMBL9768417 0.74 APEX1 (0.45) CYP1A2AURKAAURKBNT5EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210228535-A1 SMALL MOLECULES AGAINST CANCER BIOKINE THERAPEUTICS LTD. (IL) 2021-07-29 US disclosed
US-20210228535-A1 SMALL MOLECULES AGAINST CANCER BIOKINE THERAPEUTICS LTD. (IL) 2021-07-29 US disclosed
US-10959979-B2 Small molecules against cancer BIOKINE THERAPEUTICS LTD. (IL) 2021-03-30 US disclosed
US-10959979-B2 Small molecules against cancer BIOKINE THERAPEUTICS LTD. (IL) 2021-03-30 US disclosed
US-20200268709-A1 SMALL MOLECULES AGAINST CANCER BIOKINE THERAPEUTICS LTD. (IL) 2020-08-27 US disclosed
US-20200268709-A1 SMALL MOLECULES AGAINST CANCER BIOKINE THERAPEUTICS LTD. (IL) 2020-08-27 US disclosed
US-10646465-B2 Small molecules against cancer BIOKINE THERAPEUTICS LTD. (IL) 2020-05-12 US disclosed
US-10646465-B2 Small molecules against cancer BIOKINE THERAPEUTICS LTD. (IL) 2020-05-12 US disclosed
US-20190240188-A1 SMALL MOLECULES AGAINST CANCER ALONBIO LTD. (IL) 2019-08-08 US disclosed
US-20190240188-A1 SMALL MOLECULES AGAINST CANCER ALONBIO LTD. (IL) 2019-08-08 US disclosed
WO-2017103931-A1 SMALL MOLECULES AGAINST CANCER BIOKINE THERAPEUTICS LTD. (IL) 2017-06-22 WO 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 (5 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-10959979-B2 Small molecules against cancer CCL2, CXCR2, CCL5 CYP1A2 4419/4885AURKA 938/4885AURKB 287/4885
US-20210228535-A1 SMALL MOLECULES AGAINST CANCER CCL2, CXCR2, CCL5 CYP1A2 4419/4885AURKA 938/4885AURKB 287/4885
US-10646465-B2 Small molecules against cancer CCL2, CXCR2, CCL5 CYP1A2 4419/4885AURKA 938/4885AURKB 287/4885
US-20200268709-A1 SMALL MOLECULES AGAINST CANCER CCL2, CXCR2, CCL5 CYP1A2 4419/4885AURKA 938/4885AURKB 287/4885
US-20190240188-A1 SMALL MOLECULES AGAINST CANCER CCL2, CXCR2, CCL5 CYP1A2 4419/4885AURKA 938/4885AURKB 287/4885

“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.