SCHEMBL21472918

SCHEMBL21472918

COc1ccc(-c2nnc(S(C)(=O)=O)o2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.58
RAB9A P51151 7/20 0.58
KMT2A Q03164 1/20 0.58
GSK3B P49841 2/20 0.58
ALDH1A1 P00352 7/20 0.57
KDM4E B2RXH2 6/20 0.57
HPGD P15428 5/20 0.57
MAPT P10636 4/20 0.57
HSD17B10 Q99714 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TP53 P04637 2/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
USP2 O75604 1/20 0.55
CYP2C19 P33261 2/20 0.50
NOTUM Q6P988 1/20 0.50
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL9681661 0.81 NPC1 (0.55) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL24450317 0.81 NOTUM (0.45) NPC1RAB9AKMT2AGSK3BALDH1A1
SCHEMBL13004548 0.80 NPC1 (0.85) NPC1RAB9AKMT2AGSK3BALDH1A1
SCHEMBL28798361 0.80 NOTUM (0.52) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL22862410 0.80 RAB9A (0.60) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL25699690 0.80 NOTUM (0.52) RAB9AGSK3BALDH1A1KDM4ENOTUM
SCHEMBL23734594 0.80 NOTUM (0.52) NPC1RAB9AGSK3BALDH1A1KDM4E
SCHEMBL8590849 0.80 KDM4E (0.60) NPC1RAB9AGSK3BALDH1A1KDM4E
SCHEMBL7829176 0.80 RAB9A (0.60) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL24340830 0.80 KDM4E (0.47) NPC1RAB9AKMT2AGSK3BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753431-B2 Compounds comprising cleavable linker and uses thereof INTOCELL, INC. (KR) 2023-09-12 US disclosed
WO-2023097407-A1 MODIFIED AMATOXINS AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-06-08 WO disclosed
WO-2022120476-A1 AMATOXIN ANALOGS AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-06-16 WO disclosed
US-20210388017-A1 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF INTOCELL, INC. (KP) 2021-12-16 US disclosed
WO-2019197654-A1 TARGETED AMATOXIN CONJUGATE FOR THE TREATMENT OF SOLID TUMORS HEIDELBERG PHARMA RESEARCH GMBH (DE) 2019-10-17 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-20210388017-A1 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF VIP, ANTXR2, TNFRSF9 NPC1 4849/4885RAB9A 4261/4885KMT2A 3544/4885
US-11753431-B2 Compounds comprising cleavable linker and uses thereof VIP, ANTXR2, TNFRSF9 NPC1 4849/4885RAB9A 4261/4885KMT2A 3544/4885

“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.