SCHEMBL524308

SCHEMBL524308

Nc1ccc(Cl)cc1C(O)(C#CC1CC1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.50
CYP46A1 Q9Y6A2 5/20 0.36
PGR P06401 2/20 0.36
MAPK1 P28482 2/20 0.36
NR1I2 O75469 1/20 0.36
NR3C1 P04150 1/20 0.36
ADRB1 P08588 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
AGTR1 P30556 1/20 0.36
CCKBR P32239 1/20 0.36
PPARG P37231 1/20 0.36
OPRK1 P41145 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL30436667 1.00 AR (0.50) ARCYP46A1PGRMAPK1NR1I2
SCHEMBL524307 1.00 AR (0.50) ARCYP46A1PGRMAPK1NR1I2
SCHEMBL1703087 0.92 AR (0.47) ARCYP46A1PGRMAPK1NR1I2
SCHEMBL1703090 0.92 AR (0.47) ARCYP46A1PGRMAPK1NR1I2
SCHEMBL9941766 0.86 AR (0.52) ARCYP46A1PGRMAPK1NR1I2
SCHEMBL9941767 0.86 AR (0.52) ARCYP46A1PGRMAPK1NR1I2
SCHEMBL28442385 0.86 AR (0.37) ARCYP46A1PGRSMN1; SMN2CYP3A4
SCHEMBL28441826 0.86 AR (0.37) ARCYP46A1PGRSMN1; SMN2CYP3A4
SCHEMBL1702851 0.85 AR (0.45) ARSMN1; SMN2ALDH1A1
SCHEMBL1702847 0.85 AR (0.45) ARSMN1; SMN2ALDH1A1

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108947855-B Synthesis method of efavirenz key intermediate 江苏沙星化工有限公司 2021-10-22 CN claimed
EP-3548469-B1 METHOD FOR THE MANUFACTURE OF EFAVIRENZ UNIV NELSON MANDELA METROPOLITAN (ZA) 2020-08-26 EP claimed
US-10689353-B2 Method for the manufacture of Efavirenz NELSON MANDELA METROPOLITAN UNIVERSITY (ZA) 2020-06-23 US claimed
US-20200062722-A1 Method For The Manufacture of Efavirenz NELSON MANDELA METROPOLITAN UNIVERSITY (ZA) 2020-02-27 US claimed
EP-3548469-A1 METHOD FOR THE MANUFACTURE OF EFAVIRENZ Nelson Mandela Metropolitan University (ZA) 2019-10-09 EP claimed
WO-2018154414-A1 METHOD FOR THE MANUFACTURE OF EFAVIRENZ NELSON MANDELA METROPOLITAN UNIVERSITY (ZA) 2018-08-30 WO claimed
US-8710218-B2 Process for preparation of Efavirenz LUPIN LIMITED (IN) 2014-04-29 US claimed
EP-2454244-B1 AN IMPROVED PROCESS FOR PREPARATION OF EFAVIRENZ LUPIN LTD (IN) 2013-06-26 EP claimed
EP-2454244-A1 AN IMPROVED PROCESS FOR PREPARATION OF EFAVIRENZ Lupin Limited (IN) 2012-05-23 EP claimed
US-20120108809-A1 PROCESS FOR PREPARATION OF EFAVIRENZ LUPIN LIMITED (IN) 2012-05-03 US claimed
WO-2011007367-A1 AN IMPROVED PROCESS FOR PREPARATION OF EFAVIRENZ LUPIN LIMITED (IN) 2011-01-20 WO claimed
CN-108947855-B Synthesis method of efavirenz key intermediate 江苏沙星化工有限公司 2021-10-22 CN disclosed
EP-3548469-B1 METHOD FOR THE MANUFACTURE OF EFAVIRENZ UNIV NELSON MANDELA METROPOLITAN (ZA) 2020-08-26 EP disclosed
US-10689353-B2 Method for the manufacture of Efavirenz NELSON MANDELA METROPOLITAN UNIVERSITY (ZA) 2020-06-23 US disclosed
US-10689353-B2 Method for the manufacture of Efavirenz NELSON MANDELA METROPOLITAN UNIVERSITY (ZA) 2020-06-23 US disclosed
WO-1996022955-A1 IMPROVED SYNTHESIS OF CYCLOPROPYLACETYLENE MERCK & CO., INC. (US) 1996-08-01 WO disclosed
US-5519021-A Benzoxazinones as inhibitors of HIV reverse transcriptase MERCK & CO., INC. (US) 1996-05-21 US disclosed
WO-1995020389-A1 BENZOXAZINONES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1995-08-03 WO disclosed
WO-1994003440-A1 BENZOXAZINONES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1994-02-17 WO disclosed
EP-0582455-A1 Benzoxazinones as inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1994-02-09 EP 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-20120108809-A1 PROCESS FOR PREPARATION OF EFAVIRENZ CYP3A4, CYP3A43, CYP51A1 AR 4062/4885CYP46A1 55/4885PGR 4106/4885
US-10689353-B2 Method for the manufacture of Efavirenz CYP2F1, CYP2D6, CYP3A4 AR 2908/4885CYP46A1 271/4885PGR 4533/4885
US-20200062722-A1 Method For The Manufacture of Efavirenz CYP2F1, CYP2D6, CYP3A4 AR 2908/4885CYP46A1 271/4885PGR 4533/4885

“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.