SCHEMBL19642830

SCHEMBL19642830

COC(=O)C1CCCc2sc(C)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 7/20 0.33
MAPT P10636 5/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
CNR2 P34972 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
ATM Q13315 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL19642831 1.00 CYP2C19 (0.36) CYP2C19MEN1KMT2ARAB9ATSHR
SCHEMBL19642816 0.84 SIRT1 (0.41) CYP2C19MEN1KMT2ARAB9ATSHR
SCHEMBL19643822 0.84 SIRT1 (0.41) CYP2C19MEN1KMT2ARAB9ATSHR
SCHEMBL13885700 0.74 CYP2C19 (0.36) CYP2C19MEN1KMT2ARAB9ATSHR
SCHEMBL13303498 0.74 UGT2B17 (0.47) CYP2C19MEN1KMT2ARAB9ATSHR
SCHEMBL23462290 0.72 ADRA1D (0.43) CYP2C19MEN1KMT2ATSHRALDH1A1
SCHEMBL19643018 0.72 HSD17B10 (0.33) RAB9ATSHRALDH1A1KDM4EHSD17B10
SCHEMBL21160635 0.72 SIRT1 (0.34) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL14790122 0.72 KDM4E (0.45) MEN1KMT2ARAB9AALDH1A1HPGD
SCHEMBL19643016 0.72 HSD17B10 (0.33) RAB9ATSHRALDH1A1KDM4EHSD17B10

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 6 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
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 CYP2C19 261/4885MEN1 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.