SCHEMBL21857984

SCHEMBL21857984

NCCNc1cccc2cccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 3/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CD40 P25942 1/20 0.40
▸ CD40LG P29965 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CA12 O43570 2/20 0.37
▸ CA3 P07451 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36

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
SCHEMBL21857610 0.85 CA9 (0.46) CA9CA1CA2MEN1KMT2A
SCHEMBL9635973 0.76 KMT2A (0.47) HTTMAPTMEN1KMT2AHPGD
SCHEMBL30842286 0.76 CA12 (0.42) CA9CD40CD40LGMAPTMEN1
SCHEMBL21857932 0.75 CA12 (0.41) CA9CA1CA2MEN1KMT2A
SCHEMBL30461559 0.73 CA12 (0.47) CA9CA1CA2MEN1KMT2A
SCHEMBL29018091 0.73 CA12 (0.47) CA9CA1CA2MEN1KMT2A
SCHEMBL8514648 0.72 TTR (0.56) CA9CA1CA2CD40CD40LG
SCHEMBL30950399 0.72 TTR (0.56) CA9CA1CA2CD40CD40LG
SCHEMBL9634985 0.68 TSHR (0.40) MAPTMEN1KMT2AGAAHPGD
SCHEMBL18045522 0.67 POLB (0.55) CA9CA1CA2HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200277256-A1 SELECTIVE SHIP INHIBITORS FOR TREATING DISEASE THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2020-09-03 — — US claimed
WO-2020081852-A1 SELECTIVE SHIP INHIBITORS FOR TREATING DISEASE THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-04-23 — — WO claimed
US-11952328-B2 Selective ship inhibitors for treating disease THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-04-09 — — US disclosed
US-20200277256-A1 SELECTIVE SHIP INHIBITORS FOR TREATING DISEASE THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2020-09-03 — — US disclosed
US-20200277256-A1 SELECTIVE SHIP INHIBITORS FOR TREATING DISEASE THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2020-09-03 — — 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-20200277256-A1 SELECTIVE SHIP INHIBITORS FOR TREATING DISEASE PPP5C, MTMR1, PPM1G CA9 4553/4885CA1 4745/4885CA2 3640/4885
US-11952328-B2 Selective ship inhibitors for treating disease PPM1A, MTMR1, PPM1B CA9 4526/4885CA1 4813/4885CA2 4198/4885

“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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