SCHEMBL4122924

SCHEMBL4122924

CCCOc1ccc(CBr)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.53
LMNA P02545 4/20 0.53
LTA4H P09960 1/20 0.52
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 2/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PLK1 P53350 1/20 0.46
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL4487824 0.91 LTA4H (0.53) LTA4HCYP1A2KDM4ESMN1; SMN2
SCHEMBL9828836 0.88 LMNA (0.50) L3MBTL1LMNALTA4HHTTHSD17B10
SCHEMBL9828891 0.87 LMNA (0.45) L3MBTL1LMNAKMT2AMAPK1MAPT
SCHEMBL9705589 0.86 TRPA1 (0.43) LTA4HHTTCYP1A2CYP2C19ALDH1A1
SCHEMBL9308805 0.86 NR5A1 (0.61) LTA4HNPC1RAB9A
SCHEMBL14064703 0.86 NR5A1 (0.61) LTA4HNPC1RAB9A
SCHEMBL2553422 0.86 NR5A1 (0.61) LTA4HNPC1RAB9A
SCHEMBL11144854 0.86 NR5A1 (0.61) LTA4HNPC1RAB9A
SCHEMBL4809789 0.86 NR5A1 (0.61) LTA4HNPC1RAB9A
SCHEMBL9561907 0.86 NR5A1 (0.61) LTA4HNPC1RAB9A

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-9206222-B2 Solid phase peptide synthesis of peptide alcohols CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-12-08 US disclosed
US-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES UNIVERSITATSKLINIKUM MUNSTER (DE) 2013-06-13 US disclosed
US-8440841-B2 5-pyrrolidinylsulfonyl isatin derivatives Universitätsklinikum Münster (DE) 2013-05-14 US disclosed
US-8440841-B2 5-pyrrolidinylsulfonyl isatin derivatives Universitätsklinikum Münster (DE) 2013-05-14 US disclosed
US-20120108748-A1 SOLID PHASE PEPTIDE SYNTHESIS OF PEPTIDE ALCOHOLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-05-03 US disclosed
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-02-12 US disclosed
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-02-12 US disclosed
WO-2008142560-A2 METHOD FOR THE PRODUCTION OF BINARY CLATHRATE HYDRATES OF HYDROGEN ARCA SIMONE (IT) 2008-11-27 WO disclosed
US-4400293-A Liquid crystalline cyclohexylphenyl derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-08-23 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 (3 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-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES CASP5, SLC1A5, CTSZ L3MBTL1 2875/4885LMNA 2569/4885LTA4H 2806/4885
US-20120108748-A1 SOLID PHASE PEPTIDE SYNTHESIS OF PEPTIDE ALCOHOLS VIP, ERG28, PSAP L3MBTL1 970/4885LMNA 3745/4885LTA4H 2817/4885
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives CASP5, CTSZ, CTSS L3MBTL1 3157/4885LMNA 2547/4885LTA4H 2851/4885

“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.