SCHEMBL889057

SCHEMBL889057

CC(C)(C)OC(=O)N1CCCC(C(=O)Nc2ccc(Br)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.63
RIN1 Q13671 1/20 0.63
PTPN2 P17706 1/20 0.62
PTPN1 P18031 1/20 0.62
PTPN6 P29350 1/20 0.62
FPR2 P25090 11/20 0.62
FPR3 P25089 7/20 0.62
RAB9A P51151 2/20 0.54
NPC1 O15118 2/20 0.54
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL30736252 1.00 ABL1 (0.63) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL12771496 0.93 PTPN2 (0.72) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL12824516 0.89 FPR2 (0.58) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL30736248 0.89 ABL1 (0.63) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL17729048 0.89 ALDH1A1 (0.63) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL193295 0.89 RAB9A (0.65) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL193294 0.89 RAB9A (0.65) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL3715390 0.88 ABL1 (0.62) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL5870918 0.88 ABL1 (0.62) ABL1RIN1PTPN2PTPN1PTPN6
SCHEMBL31148080 0.88 ABL1 (0.62) ABL1RIN1PTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8703938-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
US-8703938-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-04-22 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-20110064696-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064696-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 (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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 ABL1 312/4885RIN1 2048/4885PTPN2 1525/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 ABL1 312/4885RIN1 2048/4885PTPN2 1525/4885
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 ABL1 312/4885RIN1 2048/4885PTPN2 1525/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 ABL1 312/4885RIN1 2048/4885PTPN2 1525/4885

“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.