SCHEMBL305198

SCHEMBL305198

C[C@@H](c1ccccc1)[C@](C(=O)O)(c1ccccc1F)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KCNN4 O15554 5/20 0.39
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
ALOX5 P09917 1/20 0.34
MTOR P42345 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRK1 P41145 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1758987 1.00 MEN1 (0.46) MEN1KMT2AKCNN4AKR1C3AKR1C2
SCHEMBL1315351 1.00 MEN1 (0.46) MEN1KMT2AKCNN4AKR1C3AKR1C2
SCHEMBL304619 1.00 MEN1 (0.46) MEN1KMT2AKCNN4AKR1C3AKR1C2
SCHEMBL6673967 0.69 KDM4E (0.41) ALDH1A1GAAALOX5MTORL3MBTL1
SCHEMBL1316741 0.69 GAA (0.38) MEN1KMT2AKCNN4ALDH1A1GAA
SCHEMBL1316739 0.69 GAA (0.38) MEN1KMT2AKCNN4ALDH1A1GAA
SCHEMBL2089215 0.67 CYP1A2 (0.52) KMT2AKCNN4ALDH1A1OPRK1
SCHEMBL30501782 0.67 KCNN4 (0.50) KMT2AKCNN4AKR1C3AKR1C2KCNE1
SCHEMBL1239901 0.67 KCNN4 (0.50) KMT2AKCNN4AKR1C3AKR1C2KCNE1
SCHEMBL23357274 0.66 CYP2D6 (0.44) KMT2AALDH1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
US-9018390-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-28 US disclosed
US-9006455-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-14 US disclosed
EP-2049114-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-10-01 EP disclosed
US-8822444-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
EP-2417126-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-02 EP disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130317213-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-11-28 US disclosed
US-20130280211-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-10-24 US disclosed
US-8492553-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-23 US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
EP-2328865-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-08 EP disclosed
US-20110130433-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-06-02 US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 US disclosed
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
WO-2010120621-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-21 WO disclosed
US-20100233120-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-09-16 US disclosed
US-7741347-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-20080311075-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-18 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 (9 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS MEN1 4869/4885KMT2A 4287/4885KCNN4 4883/4885
US-20100233120-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MEN1 4867/4885KMT2A 4516/4885KCNN4 4880/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MEN1 4867/4885KMT2A 4516/4885KCNN4 4880/4885
US-20130317213-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS MEN1 4870/4885KMT2A 4479/4885KCNN4 4881/4885
US-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS MEN1 4869/4885KMT2A 4287/4885KCNN4 4883/4885
US-20110130433-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS MEN1 4869/4885KMT2A 4287/4885KCNN4 4883/4885
US-20130280211-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MEN1 4867/4885KMT2A 4516/4885KCNN4 4880/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS MEN1 4860/4885KMT2A 4117/4885KCNN4 4884/4885
US-20080311075-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MEN1 4867/4885KMT2A 4516/4885KCNN4 4880/4885

“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.