SCHEMBL22409446

SCHEMBL22409446

N[C@H](CCN1CCN(CCP(=O)(O)O)CC1)CSc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
GPR55 Q9Y2T6 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ENPP1 P22413 1/20 0.35
ANPEP P15144 2/20 0.35
ERAP1 Q9NZ08 2/20 0.35
ERAP2 Q6P179 1/20 0.35

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
SCHEMBL22409448 1.00 MEN1 (0.41) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL22409413 0.90 MEN1 (0.41) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL22409410 0.90 MEN1 (0.41) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL22428656 0.82 NPC1 (0.40) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL19475726 0.82 MEN1 (0.43) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL19475727 0.82 MEN1 (0.43) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL19145150 0.81 MAOA (0.47) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1540211 0.81 MAOA (0.47) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1541038 0.81 LTA4H (0.47) MEN1KMT2AALDH1A1MAOAMAOB
Hydrochloric Acid SCHEMBL25235091 0.81 MEN1 (0.42) MEN1KMT2ANPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11111259-B2 Acylsulfonamide derivatives for treating senescence-associated diseases and disorders UNITY BIOTECHNOLOGY, INC. (US) 2021-09-07 US disclosed
US-20200291050-A1 ACYLSULFONAMIDE DERIVATIVES FOR TREATING SENESCENCE-ASSOCIATED DISEASES AND DISORDERS UNITY BIOTECHNOLOGY, INC. 2020-09-17 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-11111259-B2 Acylsulfonamide derivatives for treating senescence-associated diseases and disorders ACAT1, ARSA, GLA MEN1 2555/4885KMT2A 1493/4885NPC1 667/4885
US-20200291050-A1 ACYLSULFONAMIDE DERIVATIVES FOR TREATING SENESCENCE-ASSOCIATED DISEASES AND DISORDERS ACAT1, ARSA, GLA MEN1 2555/4885KMT2A 1493/4885NPC1 667/4885

“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.