SCHEMBL20722196

SCHEMBL20722196

CC(=O)c1ccc(S(=O)(=O)N2CCC(N)(CO)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ LMNA P02545 1/20 0.59
▸ USP2 O75604 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ GFER P55789 1/20 0.50
▸ KMT2A Q03164 3/20 0.48
▸ ATM Q13315 1/20 0.48
▸ PKM P14618 2/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ USP5 P45974 1/20 0.46
▸ MEN1 O00255 2/20 0.45

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
SCHEMBL23384619 0.89 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL17290508 0.80 ALDH1A1 (0.69) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL20739694 0.80 POLB (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL20722179 0.79 CYP2D6 (0.43) ALDH1A1MAPTSMN1; SMN2LMNAUSP2
SCHEMBL11536910 0.78 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL23384529 0.77 HSD11B1 (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2981180 0.76 ALDH1A1 (0.97) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL26313603 0.76 ALDH1A1 (0.97) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL12550106 0.76 ALDH1A1 (0.71) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5560091 0.75 LMNA (1.00) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059784-B2 Oxime ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 — — US disclosed
US-11059784-B2 Oxime ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 — — US disclosed
US-20210147361-A1 OXIME ETHER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-05-20 — — US disclosed
US-20210147361-A1 OXIME ETHER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-05-20 — — US disclosed
WO-2019032631-A1 OXIME ETHER COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-14 — — WO disclosed
WO-2019032631-A1 OXIME ETHER COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-14 — — 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-20210147361-A1 OXIME ETHER COMPOUNDS S1PR1, S1PR3, S1PR2 ALDH1A1 1798/4885RAB9A 2128/4885NPC1 1835/4885
US-11059784-B2 Oxime ether compounds S1PR1, S1PR3, S1PR2 ALDH1A1 2003/4885RAB9A 2170/4885NPC1 1911/4885

“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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