SCHEMBL1421322

SCHEMBL1421322

COC(=O)C[C@](C)(N[S+]([O-])C(C)(C)C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
KMT2A Q03164 3/20 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
SCHEMBL3656699 1.00 KCNN4 (0.39) KCNN4CYP2C19HIF1ACYP1A2CYP3A4
SCHEMBL1421326 1.00 KCNN4 (0.39) KCNN4CYP2C19HIF1ACYP1A2CYP3A4
SCHEMBL13010733 1.00 KCNN4 (0.39) KCNN4CYP2C19HIF1ACYP1A2CYP3A4
SCHEMBL1421323 1.00 KCNN4 (0.39) KCNN4CYP2C19HIF1ACYP1A2CYP3A4
SCHEMBL3655112 0.87 CYP2C19 (0.50) KCNN4CYP2C19HIF1ACYP1A2CYP3A4
SCHEMBL13010730 0.87 CYP2C19 (0.50) KCNN4CYP2C19HIF1ACYP1A2CYP3A4
SCHEMBL20764691 0.84 SMN1; SMN2 (0.41) POLBKMT2AALDH1A1MEN1MAPT
SCHEMBL29949250 0.84 SMN1; SMN2 (0.41) POLBKMT2AALDH1A1MEN1MAPT
SCHEMBL17857584 0.84 KCNN4 (0.38) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL10773 0.84 KMT2A (0.35) CYP2C19CYP1A2CYP3A4RECQLPOLB

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
EP-2297120-B1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE LILLY CO ELI (US) 2015-08-19 EP disclosed
EP-2297120-A1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Eli Lilly & Company (US) 2011-03-23 EP disclosed
US-7648983-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2010-01-19 US disclosed
WO-2009134617-A1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2009-11-05 WO disclosed
US-20090275566-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2009-11-05 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 (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-20090275566-A1 BACE INHIBITORS BACE1, BACE2, APP KCNN4 4183/4885CYP2C19 1074/4885HIF1A 510/4885

“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.