SCHEMBL842744

SCHEMBL842744

CN1c2ccccc2C(O)C(C)(C)S1(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
AADAT Q8N5Z0 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
NOTUM Q6P988 1/20 0.32
GPR3 P46089 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HSD11B1 P28845 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PAX8 Q06710 1/20 0.31
MCL1 Q07820 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EGFR P00533 2/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL8190136 0.68 PTGDR2 (0.36) MEN1KMT2AGPR3ALDH1A1GAA
SCHEMBL841729 0.68 MAPT (0.44) HDAC4HDAC7HDAC5MEN1KMT2A
SCHEMBL19194596 0.68 CA2 (0.43) AADATATMNOTUMHSD11B1CA12
SCHEMBL842455 0.63 KDM4E (0.46) MEN1KMT2AALDH1A1HSD11B1LMNA
SCHEMBL9571381 0.63 MEN1 (0.36) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL19179995 0.62 NR1I2 (0.41) MEN1KMT2AALDH1A1LMNANR1I2
SCHEMBL19194089 0.62 NR1I2 (0.43) AADATMEN1KMT2AALDH1A1LMNA
SCHEMBL21798599 0.62 NR1I2 (0.45) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL9571245 0.62 SMN1; SMN2 (0.37) HDAC4HDAC7HDAC5AADATNOTUM
SCHEMBL19194182 0.62 DRD3 (0.43) MEN1KMT2ACA2NR1I2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
WO-2008076860-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 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-20100093711-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP11B2 HDAC4 1766/4885HDAC7 1975/4885HDAC5 1361/4885

“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.