SCHEMBL29997641

SCHEMBL29997641

COc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.70
▸ LMNA P02545 4/20 0.70
▸ HTT P42858 2/20 0.70
▸ NPSR1 Q6W5P4 3/20 0.60
▸ TP53 P04637 2/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ TSHR P16473 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ MMP1 P03956 1/20 0.58
▸ MMP2 P08253 1/20 0.58
▸ MMP9 P14780 1/20 0.58
▸ MMP8 P22894 1/20 0.58
▸ MMP13 P45452 1/20 0.58
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MAPT P10636 2/20 0.55
▸ PKM P14618 1/20 0.55

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
SCHEMBL23014639 0.86 ALDH1A1 (0.70) ALDH1A1LMNAHTTNPSR1TP53
SCHEMBL23014076 0.82 ALDH1A1 (0.71) ALDH1A1LMNAHTTNPSR1TP53
SCHEMBL23014215 0.81 ALDH1A1 (0.70) ALDH1A1LMNAHTTNPSR1TP53
SCHEMBL14048146 0.81 KMT2A (0.56) ALDH1A1LMNAHTTTP53MAPK1
SCHEMBL8752486 0.81 ALDH1A1 (0.69) ALDH1A1LMNAHTTNPSR1TP53
SCHEMBL23014059 0.81 ALDH1A1 (0.65) ALDH1A1LMNAHTTNPSR1TP53
SCHEMBL23014053 0.80 POLB (0.65) ALDH1A1LMNAHTTNPSR1TP53
SCHEMBL23014517 0.79 ALDH1A1 (0.67) ALDH1A1LMNAHTTNPSR1TP53
SCHEMBL23014211 0.79 ALDH1A1 (0.67) ALDH1A1LMNAHTTNPSR1TP53
SCHEMBL23014068 0.79 ALDH1A1 (0.67) ALDH1A1LMNAHTTNPSR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220305121-A1 N-ARYL SULFONAMIDE DERIVATIVES AS VACCINE ADJUVANT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-09-29 — — 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-20220305121-A1 N-ARYL SULFONAMIDE DERIVATIVES AS VACCINE ADJUVANT TLR1, TLR3, TLR2 ALDH1A1 4133/4885LMNA 4318/4885HTT 3084/4885

“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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