SCHEMBL2996992

SCHEMBL2996992

CC1Cc2ccc(Br)cc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.47
HDAC8 Q9BY41 9/20 0.45
NR1H2 P55055 1/20 0.44
ABHD6 Q9BV23 2/20 0.42
USP30 Q70CQ3 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B3 P37058 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL31335775 1.00 PTPN1 (0.47) PTPN1HDAC8NR1H2ABHD6USP30
SCHEMBL12280302 1.00 PTPN1 (0.47) PTPN1HDAC8NR1H2ABHD6USP30
SCHEMBL12279538 1.00 PTPN1 (0.47) PTPN1HDAC8NR1H2ABHD6USP30
SCHEMBL2518371 0.86 HSD17B3 (0.42) PTPN1HDAC8ABHD6HSD17B3
SCHEMBL31335913 0.86 HSD17B3 (0.42) PTPN1HDAC8ABHD6HSD17B3
SCHEMBL18435303 0.85 ESR2 (0.55) PTPN1HDAC8NR1H2ABHD6MEN1
SCHEMBL31362395 0.85 PTPN1 (0.53) PTPN1HDAC8
SCHEMBL18435169 0.84 NR1H2 (0.63) PTPN1HDAC8NR1H2MEN1KMT2A
SCHEMBL31336137 0.82 PTPN1 (0.57) PTPN1HDAC8NR1H2
SCHEMBL31335948 0.82 HSD17B3 (0.45) ABHD6HSD17B3

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-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
WO-2011124093-A1 BICYCLIC QUINOLONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF 山东轩竹医药科技有限公司 (CN) 2011-10-13 WO disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 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 (2 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-20100173901-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 PTPN1 2685/4885HDAC8 289/4885NR1H2 311/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 PTPN1 2685/4885HDAC8 289/4885NR1H2 311/4885

“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.