SCHEMBL682090

SCHEMBL682090

CC(C)C1CC(=O)N(C)C(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.33
CYP19A1 P11511 1/20 0.33
MAPT P10636 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
POLB P06746 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
PLA2G7 Q13093 1/20 0.31
BRD4 O60885 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PER2 O15055 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
SCHEMBL12381790 0.78 MAPT (0.36) KMT2AMAPTNOS3NOS1NOS2
SCHEMBL7905602 0.76 BRD4 (0.47) MAPK1MAPTPLA2G7BRD4PER2
SCHEMBL18883352 0.76 BRD4 (0.47) MAPK1MAPTPLA2G7BRD4PER2
SCHEMBL18821181 0.76 BRD4 (0.47) MAPK1MAPTPLA2G7BRD4PER2
SCHEMBL23102801 0.73 MAPK1 (0.38) MAPK1BRD4
SCHEMBL11989033 0.73 MAPK1 (0.38) MAPK1BRD4
SCHEMBL23425847 0.73 MAPK1 (0.38) MAPK1BRD4
SCHEMBL1089769 0.73
SCHEMBL19711769 0.73 KMT2A (0.40) TSHRKMT2AMAPK1CYP19A1MAPT
SCHEMBL21962885 0.71 TSHR (0.41) TSHRKMT2AMAPK1CYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023235880-A1 CD38 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2023-12-07 WO disclosed
US-8835693-B2 Migrastatin analogs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-09-16 US disclosed
US-20140011844-A1 MIGRASTATIN ANALOGS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-01-09 US disclosed
US-8324284-B2 Migrastatin analogs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-12-04 US disclosed
US-8314135-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-20110281916-A1 MIGRASTATIN ANALOGS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-11-17 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-7192980-B2 Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors NOVARTIS AG (CH) 2007-03-20 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 (4 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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 TSHR 4687/4885KMT2A 2957/4885MAPK1 2698/4885
US-20110281916-A1 MIGRASTATIN ANALOGS AND USES THEREOF KDR, HMGCR, LPAR3 TSHR 994/4885KMT2A 2284/4885MAPK1 3044/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 TSHR 4732/4885KMT2A 2241/4885MAPK1 3662/4885
US-20140011844-A1 MIGRASTATIN ANALOGS AND USES THEREOF KDR, HMGCR, LPAR3 TSHR 994/4885KMT2A 2284/4885MAPK1 3044/4885

“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.