SCHEMBL17315399

SCHEMBL17315399

Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc(-c2cc(Cl)cc(Cl)c2Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.52
CA2 P00918 12/20 0.52
CA9 Q16790 11/20 0.52
MRGPRX1 Q96LB2 2/20 0.49
CA12 O43570 6/20 0.48
CA14 Q9ULX7 4/20 0.48
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.43
CA4 P22748 3/20 0.43
CA6 P23280 2/20 0.43
CA7 P43166 2/20 0.43
CA13 Q8N1Q1 2/20 0.43
CA3 P07451 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TNF P01375 1/20 0.43
IL1B P01584 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA5A P35218 1/20 0.42

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
SCHEMBL17315198 0.90 CA2 (0.50) CA1CA2CA9MRGPRX1CA12
SCHEMBL15757085 0.88 NUDT1 (0.54) CA1CA2CA9MRGPRX1CA12
SCHEMBL17315292 0.87 CA1 (0.53) CA1CA2CA9MRGPRX1CA12
SCHEMBL17315314 0.86 CA1 (0.50) CA1CA2CA9MRGPRX1CA12
SCHEMBL15757684 0.86 AGPAT2 (0.53) CA1CA2CA9MRGPRX1CA12
SCHEMBL17315435 0.84 CA1 (0.48) CA1CA2CA9MRGPRX1CA12
SCHEMBL15757171 0.84 CA1 (0.50) CA1CA2CA9MRGPRX1CA12
SCHEMBL28265870 0.84 MRGPRX1 (0.53) CA1CA2CA9MRGPRX1CA12
SCHEMBL17315414 0.84 CA1 (0.52) CA1CA2CA9MRGPRX1CA12
SCHEMBL28267613 0.83 CA1 (0.49) CA1CA2CA9MRGPRX1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2020-04-28 US claimed
US-10179790-B2 MTH1 inhibitors for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2019-01-15 US claimed
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2019-01-03 US claimed
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2020-04-28 US disclosed
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2020-04-28 US disclosed
US-10179790-B2 MTH1 inhibitors for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2019-01-15 US disclosed
US-10179790-B2 MTH1 inhibitors for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2019-01-15 US disclosed
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2019-01-03 US disclosed
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2019-01-03 US disclosed
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-09-04 US disclosed
US-20170197976-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-07-13 US disclosed
US-20170197976-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-07-13 US disclosed
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-07-13 US disclosed
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-07-13 US disclosed
CN-106794181-A MTH1 inhibitors for the treatment of inflammatory and autoimmune conditions 托马斯·黑勒戴药物研究基金会 2017-05-31 CN disclosed
EP-3151833-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS Thomas Helledays Stiftelse För Medicinsk Forskning (SE) 2017-04-12 EP disclosed
WO-2015187088-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2015-12-10 WO disclosed
WO-2015187089-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2015-12-10 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 (6 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-10179790-B2 MTH1 inhibitors for treatment of cancer MTHFD1, MTHFD2, DPYD CA1 3741/4885CA2 2855/4885CA9 2242/4885
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT CA1 3170/4885CA2 2134/4885CA9 3588/4885
US-20170197976-A1 MTH1 INHIBITORS FOR TREATMENT OF CANCER MTHFD1, MTHFD2, DPYD CA1 3741/4885CA2 2855/4885CA9 2242/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT CA1 3170/4885CA2 2134/4885CA9 3588/4885
US-20170196873-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT CA1 3170/4885CA2 2134/4885CA9 3588/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT CA1 3170/4885CA2 2134/4885CA9 3588/4885

“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.