SCHEMBL19004055

SCHEMBL19004055

Cc1nc(F)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.44
NT5E P21589 2/20 0.43
PRMT1 Q99873 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FUT8 Q9BYC5 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
THRB P10828 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA13 Q8N1Q1 2/20 0.35

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
SCHEMBL11224616 0.91 APEX1 (0.49) APEX1NT5EPRMT1ALDH1A1CYP2C9
SCHEMBL16560637 0.83 APEX1 (0.46) APEX1NT5EPRMT1ALDH1A1CYP2C9
SCHEMBL10174724 0.83 APEX1 (0.43) APEX1NT5EPRMT1ALDH1A1CYP2C9
SCHEMBL16560634 0.82 APEX1 (0.53) APEX1NT5EALDH1A1CYP2C9CYP2C19
SCHEMBL16560638 0.81 APEX1 (0.49) APEX1NT5EPRMT1ALDH1A1CYP2C9
SCHEMBL10938751 0.81 APEX1 (0.46) APEX1NT5EALDH1A1CYP2C9CYP2C19
SCHEMBL14087146 0.80 CA12 (0.39) APEX1ALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL16557824 0.79 APEX1 (0.43) APEX1NT5EPRMT1ALDH1A1CYP2C9
SCHEMBL7753503 0.78 CA12 (0.45) APEX1MEN1KMT2ACA12CA1
SCHEMBL11230352 0.78 APEX1 (0.49) APEX1NT5EPRMT1ALDH1A1CYP2C9

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
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-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-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 APEX1 3020/4885NT5E 1942/4885PRMT1 2106/4885
US-20210228535-A1 SMALL MOLECULES AGAINST CANCER CCL2, CXCR2, CCL5 APEX1 3020/4885NT5E 1942/4885PRMT1 2106/4885
US-10646465-B2 Small molecules against cancer CCL2, CXCR2, CCL5 APEX1 3020/4885NT5E 1942/4885PRMT1 2106/4885
US-20200268709-A1 SMALL MOLECULES AGAINST CANCER CCL2, CXCR2, CCL5 APEX1 3020/4885NT5E 1942/4885PRMT1 2106/4885
US-20190240188-A1 SMALL MOLECULES AGAINST CANCER CCL2, CXCR2, CCL5 APEX1 3020/4885NT5E 1942/4885PRMT1 2106/4885

“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.