SCHEMBL18857746

SCHEMBL18857746

Nc1ccncc1NCCS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 7/20 0.43
▸ EGFR P00533 1/20 0.41
▸ KDM6B O15054 5/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CA12 O43570 3/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA14 Q9ULX7 3/20 0.38
▸ LATS1 O95835 1/20 0.38
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ ECE1 P42892 1/20 0.34
▸ MUS81 Q96NY9 1/20 0.34

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
SCHEMBL18857747 0.91 KDM4C (0.46) KDM4CEGFRKDM6BCYP2D6CA12
SCHEMBL18857748 0.88 EGFR (0.41) KDM4CEGFRKDM6BCYP2D6CA12
SCHEMBL18857751 0.80 HPGD (0.40) KDM4CKDM6BCA12CA1CA2
SCHEMBL18857749 0.79 KDM4C (0.43) KDM4CEGFRKDM6BCA12CA1
SCHEMBL11594018 0.75 CA12 (0.40) KDM4CKDM6BCA12CA1CA2
SCHEMBL3068769 0.75 KDM4C (0.57) KDM4CKDM6BLATS1ECE1MUS81
SCHEMBL18857755 0.75 HPGD (0.44) KDM4CKDM6BCA12CA1CA2
SCHEMBL4749229 0.73 F2 (0.43) EGFRCYP2D6LATS1
SCHEMBL18857773 0.72 KDM4C (0.46) KDM4CKDM6BMAPTGAA
SCHEMBL18857752 0.71 ECE1 (0.34) KDM4CKDM6BCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134662-A1 Aminopyridine Based Buffers with Wide Buffering Ranges Antibiotics and Myelin Disease Therapy TPAT IP LLC 2018-05-17 — — US disclosed
US-9867813-B2 Aminopyridine based buffers with wide buffering ranges, antibiotics and myelin disease therapy TPAT IP LLC 2018-01-16 — — US disclosed
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy TPAT IP LLC 2017-05-18 — — 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-20180134662-A1 Aminopyridine Based Buffers with Wide Buffering Ranges Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG KDM4C 2547/4885EGFR 2825/4885KDM6B 2035/4885
US-20170135998-A1 Aminopyridine Based Buffers with Wide Buffering Ranges, Antibiotics and Myelin Disease Therapy AQP4, PMP22, MAG KDM4C 2583/4885EGFR 2615/4885KDM6B 2054/4885

“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.

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