SCHEMBL22828680

SCHEMBL22828680

CCCCc1ccc(NC(=O)Nc2c[nH]c(-c3ccc(F)s3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.46
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ GHSR Q92847 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ EPHX1 P07099 1/20 0.41

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
SCHEMBL23719153 0.79 KMT2A (0.52) CA12CA1CA2CA9MEN1
SCHEMBL22828373 0.77 NPC1 (0.48) CA12CA1CA2CA9MEN1
SCHEMBL22828682 0.77 MEN1 (0.56) CA12CA1CA2CA9MEN1
SCHEMBL15094124 0.74 CA12 (0.74) CA12CA1CA2CA9MEN1
SCHEMBL22828399 0.73 CA12 (0.49) CA12CA1CA2CA9MEN1
SCHEMBL22828398 0.72 CA12 (0.51) CA12CA1CA2CA9MEN1
SCHEMBL4117293 0.70 CA12 (0.68) CA12CA1CA2CA9MEN1
SCHEMBL15093703 0.70 CA12 (0.73) CA12CA1CA2CA9MEN1
SCHEMBL22828234 0.70 CNR1 (0.47) MEN1KMT2ANPC1RAB9AGHSR
SCHEMBL4112811 0.69 CA12 (0.67) CA12CA1CA2CA9MEN1

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-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 — — US disclosed
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 — — US disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 — — 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 (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-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 CA12 4119/4885CA1 4409/4885CA2 1475/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 CA12 1230/4885CA1 1277/4885CA2 420/4885

“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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