SCHEMBL4402799

SCHEMBL4402799

CCS(=O)(=O)N1CCCC(CC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 2/20 0.37
KMT2A Q03164 1/20 0.37
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL24449544 0.90 CYP1A2 (0.48) TSHRALDH1A1SMN1; SMN2CYP1A2KMT2A
SCHEMBL24448935 0.89 ALDH1A1 (0.41) TSHRALDH1A1SMN1; SMN2USP2KMT2A
SCHEMBL24449558 0.88 TSHR (0.36) TSHRALDH1A1SMN1; SMN2USP2CYP1A2
SCHEMBL4404400 0.86 ALDH1A1 (0.43) TSHRALDH1A1CYP3A4CYP2C19POLB
SCHEMBL12945381 0.84 CYP3A4 (0.35) TSHRALDH1A1CYP3A4CYP2C19
SCHEMBL4409415 0.84 CYP3A4 (0.35) ALDH1A1CYP1A2CYP3A4CYP2C19MAPK1
SCHEMBL16994751 0.83 TSHR (0.41) TSHRALDH1A1SMN1; SMN2USP2CYP1A2
SCHEMBL24449559 0.83 CYP3A4 (0.35) ALDH1A1CYP3A4CYP2C19
SCHEMBL24449663 0.81 MEN1 (0.38) TSHRALDH1A1KMT2ACYP3A4CYP2C19
SCHEMBL24449914 0.81

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-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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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 (5 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 TSHR 3589/4885ALDH1A1 2786/4885SMN1; SMN2 3017/4885
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A TSHR 3589/4885ALDH1A1 2786/4885SMN1; SMN2 3017/4885
US-11685732-B2 MYST family histone acetyltransferase inhibitors EP300, KAT2A, KAT6A TSHR 3589/4885ALDH1A1 2786/4885SMN1; SMN2 3017/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK TSHR 3127/4885ALDH1A1 780/4885SMN1; SMN2 3820/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK TSHR 3127/4885ALDH1A1 780/4885SMN1; SMN2 3820/4885

“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.