SCHEMBL19643771

SCHEMBL19643771

CS(=O)(=O)N1CCC(C(=O)O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.45
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOTUM Q6P988 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
CDC42 P60953 3/20 0.37
RAC1 P63000 3/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
NPC1 O15118 1/20 0.37
CHRM3 P20309 1/20 0.37
OPRM1 P35372 1/20 0.37
RAB9A P51151 1/20 0.37
PAK1 Q13153 1/20 0.37

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
SCHEMBL28957232 0.88 HTR6 (0.42) HTR6MEN1KMT2AMAPTNOTUM
SCHEMBL19642763 0.85 HTR6 (0.41) HTR6MEN1KMT2AMAPT
SCHEMBL30899464 0.78 KDM4C (0.44) HTR6NOTUMCDC42RAC1PTGS1
SCHEMBL16250257 0.78 KDM4C (0.44) HTR6NOTUMCDC42RAC1PTGS1
SCHEMBL15336103 0.77 SLC6A2 (0.43) HTR6KMT2ANOTUM
SCHEMBL3566349 0.76 KCNA3 (0.47) HTR6MEN1KMT2AMAPT
SCHEMBL28280809 0.75 NOTUM (0.41) HTR6MEN1KMT2APOLBNOTUM
SCHEMBL28280937 0.75 NOTUM (0.43) HTR6MEN1KMT2ANOTUMCDC42
SCHEMBL30099065 0.75 HTR6 (0.43) HTR6NOTUM
SCHEMBL11977476 0.75 NOTUM (0.39) HTR6MEN1KMT2APOLBNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109475530-B Aminoacyl indazole immunomodulators for treating autoimmune diseases 洛克菲勒大学 2022-03-01 CN disclosed
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 US disclosed
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 US disclosed
EP-3463341-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES The Rockefeller University (US) 2019-04-10 EP disclosed
CN-109475530-A For treating the aminoacyl indazole immunomodulator of autoimmune disease 洛克菲勒大学 2019-03-15 CN disclosed
WO-2017205296-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-11-30 WO disclosed
WO-2017205296-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-11-30 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 (1 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-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI2, IL4I1, TFPI HTR6 4542/4885MEN1 2786/4885KMT2A 1791/4885

“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.