SCHEMBL5951665

SCHEMBL5951665

CCOB(O)c1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
TSHR P16473 3/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 6/20 0.31
KDM4E B2RXH2 3/20 0.31
TP53 P04637 1/20 0.31
CASP7 P55210 1/20 0.31
KEAP1 Q14145 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
POLB P06746 1/20 0.31
CASP6 P55212 1/20 0.31

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
SCHEMBL31416508 0.80 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL14983484 0.80 DPP4 (0.38) DPP4RAB9ANPC1TSHRHPGD
SCHEMBL1138357 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3665973 0.78
SCHEMBL7915938 0.77
SCHEMBL29563439 0.76 DPP4 (0.35) DPP4RAB9ANPC1TSHRHPGD
SCHEMBL8555010 0.73 SMN1; SMN2 (0.33) RAB9ANPC1TSHRHPGDMEN1
SCHEMBL5050109 0.73 SMN1; SMN2 (0.32) RAB9ANPC1TSHRSMN1; SMN2GAA
SCHEMBL28354380 0.71 MMP1 (0.33)
SCHEMBL1186594 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067649-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2024-02-29 US disclosed
US-11827632-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2023-11-28 US disclosed
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US disclosed
WO-2002014261-A2 4-SUBSTITUTED D-GLUTAMIC ACID DERIVATIVES FOR USE AS ANTIBIOTIC ELI LILLY AND COMPANY (US) 2002-02-21 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 (4 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-11827632-B2 NLRP3 modulators NLRP3, NLRP1, NOD1 DPP4 1188/4885RAB9A 2621/4885NPC1 249/4885
US-20240067649-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 DPP4 1188/4885RAB9A 2621/4885NPC1 249/4885
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A DPP4 4687/4885RAB9A 3183/4885NPC1 2099/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 DPP4 4708/4885RAB9A 3329/4885NPC1 1941/4885

“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.