SCHEMBL20722179

SCHEMBL20722179

NC1(CO)CCN(S(=O)(=O)c2cc[c]cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ USP2 O75604 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTR2A P28223 1/20 0.38

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
SCHEMBL20722196 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL23384619 0.79 ALDH1A1 (0.48) CYP2D6ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL20739694 0.78 POLB (0.49) CYP2D6ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL17290485 0.76 ALDH1A1 (0.45) CYP2D6ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1229961 0.73 USP2 (0.69) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL421626 0.73 USP2 (0.63) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL76639 0.72 USP2 (0.73) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL2122633 0.72 USP2 (0.73) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL5656838 0.70 USP2 (0.44) ALDH1A1SMN1; SMN2POLBTSHRGAA
SCHEMBL5657050 0.69 LMNA (0.61) ALDH1A1L3MBTL1POLBHTTLMNA

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-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
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 CYP2D6 3663/4885ALDH1A1 1798/4885SMN1; SMN2 1294/4885
US-11059784-B2 Oxime ether compounds S1PR1, S1PR3, S1PR2 CYP2D6 3725/4885ALDH1A1 2003/4885SMN1; SMN2 1390/4885

“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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