SCHEMBL4822277

SCHEMBL4822277

COc1cc(NS(=O)(=O)c2ccc(C)cc2)cc(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
LMNA P02545 2/20 0.67
HTR6 P50406 1/20 0.66
MAPT P10636 1/20 0.61
FFAR4 Q5NUL3 3/20 0.59
CYP19A1 P11511 1/20 0.59
PKM P14618 2/20 0.59
GABRG2 P18507 1/20 0.58
GABRB3 P28472 1/20 0.58
GABRA3 P34903 1/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
NFKBIA P25963 1/20 0.56
GAA P10253 1/20 0.55
MAPK1 P28482 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
SCHEMBL28661171 0.86 CYP19A1 (0.72) SMN1; SMN2LMNAMAPTFFAR4CYP19A1
SCHEMBL5289106 0.85 SMN1; SMN2 (0.65) SMN1; SMN2LMNAHTR6MAPTFFAR4
SCHEMBL7823465 0.85 HTR6 (0.88) SMN1; SMN2LMNAHTR6MAPTCYP19A1
SCHEMBL7564170 0.85 GAA (0.76) SMN1; SMN2LMNAMAPTFFAR4CYP19A1
SCHEMBL806437 0.85 GAA (0.76) SMN1; SMN2LMNAMAPTFFAR4CYP19A1
SCHEMBL8752452 0.85 PGR (0.67) SMN1; SMN2LMNAHTR6MAPTCYP19A1
SCHEMBL30434229 0.85 GAA (0.76) SMN1; SMN2LMNAMAPTFFAR4CYP19A1
SCHEMBL31681290 0.82 CYP19A1 (0.67) SMN1; SMN2LMNAMAPTCYP19A1PKM
SCHEMBL2117686 0.82 FFAR4 (0.61) LMNAMAPTFFAR4CYP19A1PKM
SCHEMBL6933571 0.81 SMN1; SMN2 (0.60) SMN1; SMN2LMNAHTR6MAPTFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260097-B 5-Methylphenidate compound and application thereof in preparation of drugs or probes for reducing or detecting thioredoxin reductase level 兰州大学 2024-09-13 CN disclosed
CN-115260097-A 5-methylphenanthridine compound and application thereof in preparing drug or probe for reducing or detecting thioredoxin reductase level 兰州大学 2022-11-01 CN disclosed
US-7446229-B2 Bicyclic cannabinoids UNIVERSITY OF CONNECTICUT (US) 2008-11-04 US disclosed
US-7446229-B2 Bicyclic cannabinoids UNIVERSITY OF CONNECTICUT (US) 2008-11-04 US disclosed
US-7446229-B2 Bicyclic cannabinoids UNIVERSITY OF CONNECTICUT (US) 2008-11-04 US disclosed
US-20070155701-A1 KETO CANNABINOIDS WITH THERAPEUTIC INDICATIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-07-05 US disclosed
US-20070155701-A1 KETO CANNABINOIDS WITH THERAPEUTIC INDICATIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-07-05 US disclosed
US-20070155701-A1 KETO CANNABINOIDS WITH THERAPEUTIC INDICATIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-07-05 US disclosed
US-20070135388-A1 Novel Bicyclic Cannabinoids UNIVERSITY OF CONNECTICUT 2007-06-14 US disclosed
US-20070135388-A1 Novel Bicyclic Cannabinoids UNIVERSITY OF CONNECTICUT 2007-06-14 US disclosed
US-20070135388-A1 Novel Bicyclic Cannabinoids UNIVERSITY OF CONNECTICUT 2007-06-14 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 (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-20070155701-A1 KETO CANNABINOIDS WITH THERAPEUTIC INDICATIONS CNR2, CNR1, FAAH SMN1; SMN2 3535/4885LMNA 3524/4885HTR6 204/4885
US-20070135388-A1 Novel Bicyclic Cannabinoids CNR2, CNR1, GPR18 SMN1; SMN2 3137/4885LMNA 3186/4885HTR6 244/4885

“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.