SCHEMBL3923739

SCHEMBL3923739

CCOC(=O)c1c(NC(=O)C2CC2)sc2c1C(C)CCC2

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 13/20 0.70
CXCR4 P61073 8/20 0.64
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 1/20 0.53
ABCC1 P33527 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52

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
SCHEMBL21603842 0.93 CXCR2 (0.61) CXCR2CXCR4MAPTALDH1A1HPGD
SCHEMBL21260782 0.86 CXCR2 (0.69) CXCR2CXCR4MAPTALDH1A1KDM4E
SCHEMBL21597516 0.84 MAPT (0.58) CXCR2CXCR4MAPTALDH1A1HPGD
SCHEMBL8290798 0.84 CXCR2 (0.67) CXCR2CXCR4MAPTALDH1A1HPGD
SCHEMBL21603891 0.83 ABCC1 (0.64) CXCR2CXCR4MAPTALDH1A1KDM4E
SCHEMBL5451004 0.82 MAPT (0.77) MAPTALDH1A1HPGDKMT2AKDM4E
SCHEMBL3913969 0.82 FLT3 (0.64) CXCR2CXCR4MAPTALDH1A1HPGD
SCHEMBL21603868 0.82 MAPT (0.58) CXCR2MAPTALDH1A1HPGDMAPK1
SCHEMBL21247274 0.80 MAPT (0.70) CXCR2CXCR4MAPT
Water SCHEMBL21597829 0.80 ABCC1 (0.60) CXCR2CXCR4MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 US claimed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 US claimed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 US claimed
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US disclosed
CN-112566910-A Thiophene derivatives for the treatment of IgE induced diseases UCB生物制药有限责任公司 2021-03-26 CN disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 US disclosed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 US disclosed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 US 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-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, MASTL, BPGM CXCR2 2077/4885CXCR4 1684/4885MAPT 3062/4885
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 CXCR2 1234/4885CXCR4 2690/4885MAPT 2356/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 CXCR2 2218/4885CXCR4 1751/4885MAPT 2046/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B CXCR2 2193/4885CXCR4 3470/4885MAPT 2119/4885

“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.