SCHEMBL4409415

SCHEMBL4409415

CC(C)(C)CC1CCCN(S(=O)(=O)C2CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KAT8 Q9H7Z6 1/20 0.33
CYP19A1 P11511 9/20 0.33
ALDH1A1 P00352 3/20 0.33
ATM Q13315 1/20 0.33
MAPK1 P28482 1/20 0.31
IDO1 P14902 1/20 0.31
CYP1A2 P05177 1/20 0.31
EPHX2 P34913 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
SCHEMBL24449559 0.95 CYP3A4 (0.35) CYP3A4CYP2C19KAT8CYP19A1ALDH1A1
SCHEMBL24449426 0.89 ALDH1A1 (0.40) KAT8ALDH1A1EPHX2
SCHEMBL24448859 0.86 ALDH1A1 (0.38) CYP3A4CYP2C19KAT8ALDH1A1EPHX2
SCHEMBL4402799 0.84 TSHR (0.39) CYP3A4CYP2C19ALDH1A1MAPK1CYP1A2
SCHEMBL4404400 0.84 ALDH1A1 (0.43) CYP3A4CYP2C19CYP19A1ALDH1A1ATM
SCHEMBL24448812 0.83 THRA (0.32) ALDH1A1
SCHEMBL12945381 0.83 CYP3A4 (0.35) CYP3A4CYP2C19CYP19A1ALDH1A1ATM
SCHEMBL13036988 0.82 KAT8 (0.38) CYP3A4CYP2C19KAT8CYP19A1ALDH1A1
SCHEMBL16994750 0.82 KAT8 (0.38) CYP3A4CYP2C19KAT8CYP19A1ALDH1A1
SCHEMBL24449464 0.80 THRA (0.30) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. 2022-05-26 US disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 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 (6 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-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A CYP3A4 4692/4885CYP2C19 4848/4885KAT8 6/4885
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A CYP3A4 4692/4885CYP2C19 4848/4885KAT8 6/4885
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 CYP3A4 820/4885CYP2C19 727/4885KAT8 4209/4885
US-11685732-B2 MYST family histone acetyltransferase inhibitors EP300, KAT2A, KAT6A CYP3A4 4692/4885CYP2C19 4848/4885KAT8 6/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CYP3A4 639/4885CYP2C19 253/4885KAT8 2517/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CYP3A4 639/4885CYP2C19 253/4885KAT8 2517/4885

“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.