Sugi Predict

Sugi Predict / Compounds / SCHEMBL4371600

SCHEMBL4371600

SCHEMBL4371600

NC(=O)c1ccc(F)cc1C(F)(F)F.O=S(=O)(O)c1ccc(N2CCCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.43
▸ PARP1 P09874 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA4 P22748 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ WDR5 P61964 2/20 0.40
▸ SFRP1 Q8N474 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL4368504 0.99 KMT2A (0.44) PKMPARP1KMT2AKDM4EHSD11B1
SCHEMBL4372077 0.91 CA12 (0.41) PKMPARP1HSD11B1CA12CA1
SCHEMBL4370991 0.91 WDR5 (0.48) PARP1KMT2AHSD11B1WDR5SFRP1
SCHEMBL1883785 0.91 RPS6KB1 (0.43) PKMPARP1HSD11B1CA12CA1
SCHEMBL4366386 0.89 HSD11B1 (0.44) KMT2AKDM4EHSD11B1CA12CA1
SCHEMBL1885490 0.89 LMNA (0.48) PKMPARP1KMT2AKDM4ECA12
SCHEMBL1883510 0.89 HSD11B1 (0.44) PKMPARP1KDM4EHSD11B1WDR5
SCHEMBL1888251 0.89 KMT2A (0.42) PARP1KMT2AHSD11B1WDR5SMN1; SMN2
SCHEMBL4373803 0.89 L3MBTL1 (0.46) KMT2AKDM4ECA12CA1CA2
SCHEMBL4370332 0.88 L3MBTL1 (0.46) KMT2AKDM4ECA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625896-B2 Pyridylsulfonamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-12-01 — — US claimed
US-20070123513-A1 6-thiomorpholin-4-yl-pyridine-3-sulfonic acid 4-chloro-2-methoxy-benzoylamide; ammonium salt of3-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-sulfonic acid 4-chloro-2-methoxy-benzoylamide; anticarcinogenic agent HOFFMANN-LA ROCHE INC. 2007-05-31 — — US claimed
US-7625896-B2 Pyridylsulfonamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-12-01 — — US disclosed
US-20070123513-A1 6-thiomorpholin-4-yl-pyridine-3-sulfonic acid 4-chloro-2-methoxy-benzoylamide; ammonium salt of3-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-sulfonic acid 4-chloro-2-methoxy-benzoylamide; anticarcinogenic agent HOFFMANN-LA ROCHE INC. 2007-05-31 — — 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 (1 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-20070123513-A1 6-thiomorpholin-4-yl-pyridine-3-sulfonic acid 4-chloro-2-methoxy-benzoylamide; ammonium salt of3-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-sulfonic acid 4-chloro-2-methoxy-benzoylamide; anticarcinogenic agent TPMT, BPNT1, SLC6A3 PKM 3767/4885PARP1 2426/4885KMT2A 959/4885

“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.