SCHEMBL468180

SCHEMBL468180

CCCCc1ccc(-c2nccs2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.59
ADRB2 P07550 2/20 0.58
PDPK1 O15530 1/20 0.52
HSD11B1 P28845 2/20 0.47
RAB9A P51151 5/20 0.46
KDM4E B2RXH2 2/20 0.46
NISCH Q9Y2I1 1/20 0.46
PLA2G4A P47712 2/20 0.46
RARB P10826 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL8240124 0.82 LOXL2 (0.67) LOXL2ADRB2PDPK1RAB9ANISCH
SCHEMBL28230874 0.82 ADRB2 (0.50) LOXL2ADRB2PDPK1
SCHEMBL28230903 0.81 LOXL2 (0.57) LOXL2ADRB2PDPK1PLA2G4AHPGD
SCHEMBL28861493 0.81 LOXL2 (0.67) LOXL2ADRB2PDPK1PLA2G4ACYP2A6
SCHEMBL4724672 0.81 CYP2D6 (0.57) LOXL2ADRB2PDPK1RAB9AKDM4E
SCHEMBL722198 0.79 PDPK1 (0.77) LOXL2ADRB2PDPK1RAB9AALDH1A1
SCHEMBL3969950 0.79 LOXL2 (0.73) LOXL2ADRB2PDPK1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL17261482 0.79 LOXL2 (0.62) LOXL2ADRB2PDPK1RAB9ANPC1
SCHEMBL21791658 0.77 LOXL2 (0.71) LOXL2ADRB2PDPK1CYP2A6
SCHEMBL28230012 0.77 ADRB2 (0.52) LOXL2ADRB2PDPK1RAB9AKDM4E

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-10399967-B2 Compounds for inflammation and immune-related uses PRCL Research Inc. (CA) 2019-09-03 US disclosed
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES PRCL Research Inc. (CA) 2017-08-17 US disclosed
EP-2385763-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME Akebia Therapeutics Inc. (US) 2011-11-16 EP disclosed
US-20110253725-A1 MULTI-PORT BEVERAGE AND FOOD CONTAINERS KILLIAN WILLIAM 2011-10-20 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 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-10399967-B2 Compounds for inflammation and immune-related uses CXCL8, CCR1, CCR8 LOXL2 1305/4885ADRB2 1421/4885PDPK1 2077/4885
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 LOXL2 1305/4885ADRB2 1421/4885PDPK1 2077/4885

“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.