SCHEMBL3811073

SCHEMBL3811073

CCCCC1(CC)CN(c2ccccc2)c2cc(Br)c(OCC(=O)N[C@@H](C(=O)O)c3ccccc3)cc2S(=O)(=O)C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.48
SLC10A2 Q12908 14/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL5227194 1.00 NR1H4 (0.48) NR1H4SLC10A2KMT2AMEN1POLB
SCHEMBL5227198 1.00 NR1H4 (0.48) NR1H4SLC10A2KMT2AMEN1POLB
SCHEMBL14559673 0.97 NR1H4 (0.49) NR1H4SLC10A2KMT2AMEN1POLB
SCHEMBL14559669 0.97 NR1H4 (0.49) NR1H4SLC10A2KMT2AMEN1POLB
SCHEMBL5223220 0.95 NR1H4 (0.47) NR1H4SLC10A2
SCHEMBL7093635 0.95 NR1H4 (0.47) NR1H4SLC10A2
SCHEMBL3808828 0.95 NR1H4 (0.47) NR1H4SLC10A2
SCHEMBL5223216 0.95 NR1H4 (0.47) NR1H4SLC10A2
SCHEMBL14559662 0.93 NR1H4 (0.55) NR1H4SLC10A2KMT2AMEN1POLB
SCHEMBL7051076 0.93 NR1H4 (0.42) NR1H4SLC10A2

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-7211594-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-01 US claimed
US-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 US claimed
EP-1430040-B1 BENZOTHIAZEPINE DERIVATIVES ALBIREO AB (SE) 2009-08-05 EP disclosed
EP-1345918-B1 1,5 BENZOTHIAZEPINES AND THEIR USE AS ANTIHYPERLIPIDEMICS ASTRAZENECA AB (SE) 2007-04-18 EP disclosed
US-7192946-B2 Benzothiazepine derivatives ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-7192945-B2 Benzothiazepine derivatives ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-20040254160-A1 Benzothiazepine derivatives ELOBIX AB (SE) 2004-12-16 US disclosed
US-20040067933-A1 Chemical compounds ELOBIX AB (SE) 2004-04-08 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-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK MAPK1, MAP3K1, MAPKAPK2 NR1H4 378/4885SLC10A2 2257/4885KMT2A 2900/4885
US-20040067933-A1 Chemical compounds SLC10A2, SLC10A1, ABCB11 NR1H4 7/4885SLC10A2 1/4885KMT2A 2975/4885
US-20040254160-A1 Benzothiazepine derivatives SLC10A2, SLC10A1, ABCB11 NR1H4 6/4885SLC10A2 1/4885KMT2A 1489/4885

“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.