SCHEMBL22633772

SCHEMBL22633772

CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)C(c3cccc(F)c3)C2)c1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.81
▸ KMT2A Q03164 8/20 0.81
▸ PKM P14618 5/20 0.81
▸ MEN1 O00255 4/20 0.81
▸ LMNA P02545 7/20 0.67
▸ KDM4E B2RXH2 5/20 0.67
▸ RAB9A P51151 2/20 0.62
▸ POLB P06746 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ MAPT P10636 8/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.54
▸ HTT P42858 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ KIF11 P52732 1/20 0.50

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
SCHEMBL14133539 0.76 ALDH1A1 (0.75) ALDH1A1KMT2APKMMEN1KDM4E
SCHEMBL14133355 0.75 KDM4E (0.74) ALDH1A1PKMKDM4ERAB9AMAPT
SCHEMBL14134055 0.71 KDM4E (0.64) ALDH1A1KMT2APKMMEN1LMNA
SCHEMBL14133536 0.70 PKM (1.00) ALDH1A1KMT2APKMMEN1LMNA
SCHEMBL14133533 0.70 KDM4E (0.71) ALDH1A1KMT2APKMMEN1LMNA
SCHEMBL9993451 0.70 ALDH1A1 (0.53) ALDH1A1KMT2APKMMEN1LMNA
SCHEMBL23052318 0.70 ALDH1A1 (0.70) ALDH1A1KMT2APKMMEN1LMNA
SCHEMBL23052081 0.70 ALDH1A1 (0.70) ALDH1A1KMT2APKMMEN1LMNA
SCHEMBL14133805 0.69 KDM4E (0.71) ALDH1A1KMT2APKMMEN1LMNA
SCHEMBL23052359 0.68 ALDH1A1 (0.72) ALDH1A1KMT2APKMMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354327-A1 COMPOUND HAVING STAT3 INHIBITORY ACTIVITY AND USE THEREOF CYTUS H&B CO LTD (KR) 2020-11-12 — — US disclosed
US-20200354327-A1 COMPOUND HAVING STAT3 INHIBITORY ACTIVITY AND USE THEREOF CYTUS H&B CO LTD (KR) 2020-11-12 — — 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-20200354327-A1 COMPOUND HAVING STAT3 INHIBITORY ACTIVITY AND USE THEREOF STAT3, JAK2, STAT6 ALDH1A1 1603/4885KMT2A 608/4885PKM 4131/4885

“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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