SCHEMBL16439477

SCHEMBL16439477

CC(C)(C)OC(=O)/C=C/C1CCOC(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17078032 1.00 POLB (0.33) POLBALDH1A1GLASMN1; SMN2
SCHEMBL17078043 0.79 POLB (0.38) POLBALDH1A1GLASMN1; SMN2
SCHEMBL9585576 0.79 USP2 (0.39) SMN1; SMN2
SCHEMBL20519279 0.79 USP2 (0.39) SMN1; SMN2
SCHEMBL16439492 0.79 POLB (0.38) POLBALDH1A1GLASMN1; SMN2
SCHEMBL10428519 0.76 CHRM2 (0.34)
SCHEMBL22491779 0.76 CHRM2 (0.34)
SCHEMBL28360869 0.75 RECQL (0.30)
SCHEMBL15630728 0.73 GAA (0.35)
SCHEMBL13471776 0.73 BTK (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027593-B1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2020-06-10 EP disclosed
EP-3027593-B1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2020-06-10 EP disclosed
EP-3116862-B1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-04-17 EP disclosed
EP-3116862-B1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-04-17 EP disclosed
US-10138255-B2 Piperazine derivatives as HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2018-11-27 US disclosed
US-9840478-B2 Piperazine derivatives as HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-9840478-B2 Piperazine derivatives as HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-9840478-B2 Piperazine derivatives as HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20170073354-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-03-16 US disclosed
US-20170073354-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-03-16 US disclosed
US-20170073354-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-03-16 US disclosed
US-20160159752-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-09 US disclosed
US-20160159752-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-09 US disclosed
US-20160159752-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-09 US disclosed
WO-2015135091-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 WO disclosed
WO-2015013835-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-02-05 WO disclosed
WO-2015017393-A2 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-02-05 WO 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-20170073354-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS PREP, CTSZ, PEPD POLB 329/4885ALDH1A1 955/4885GLA 1833/4885
US-10138255-B2 Piperazine derivatives as HIV protease inhibitors PREP, CTSZ, PEPD POLB 329/4885ALDH1A1 955/4885GLA 1833/4885
US-20160159752-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS PREP, CTSZ, PEPD POLB 493/4885ALDH1A1 1727/4885GLA 2524/4885

“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.