SCHEMBL889064

SCHEMBL889064

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(Br)c2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.60
PTPN1 P18031 1/20 0.60
PTPN6 P29350 1/20 0.60
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
UBE2M P61081 1/20 0.57
DCUN1D1 Q96GG9 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ABL1 P00519 1/20 0.55
RIN1 Q13671 1/20 0.55
PARP1 P09874 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
STS P08842 2/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
LMNA P02545 1/20 0.48
FPR3 P25089 1/20 0.48
FPR2 P25090 1/20 0.48
LIMK2 P53671 1/20 0.47

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
SCHEMBL18642102 1.00 PTPN2 (0.60) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL24147974 0.94 PTPN2 (0.67) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL889067 0.87 PTPN2 (0.60) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL18663457 0.87 PTPN2 (0.60) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL12771496 0.86 PTPN2 (0.72) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL1317618 0.86 PTPN2 (0.71) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL29971632 0.86 PTPN2 (0.71) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL29686111 0.86 PTPN2 (0.71) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL18642100 0.83 UBE2M (0.61) UBE2MDCUN1D1MEN1KMT2AMAPT
SCHEMBL17027776 0.82 USP30 (0.55) PTPN2PTPN1PTPN6NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350164-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2018-07-25 EP disclosed
WO-2017049176-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2017-03-23 WO disclosed
WO-2017049176-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2017-03-23 WO disclosed
US-8822700-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8822700-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8815928-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-8815928-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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 (3 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 PTPN2 1525/4885PTPN1 1373/4885PTPN6 1659/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 PTPN2 1525/4885PTPN1 1373/4885PTPN6 1659/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 PTPN2 1525/4885PTPN1 1373/4885PTPN6 1659/4885

“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.