SCHEMBL4641977

SCHEMBL4641977

COc1cc(B(O)O)cc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TUBB1 Q9H4B7 3/20 0.37
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KDM1A O60341 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 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
SCHEMBL5628199 0.90 ENPP2 (0.41) ENPP2CA1CA2TUBB1LMNA
SCHEMBL10165239 0.82 ENPP2 (0.36) ENPP2CA1CA2TUBB1LMNA
SCHEMBL7435094 0.82 CYP3A4 (0.42) ENPP2CA1CA2TUBB1TUBB4A
SCHEMBL21048124 0.81 ENPP2 (0.40) ENPP2CA1CA2LMNARAB9A
SCHEMBL31652133 0.79 L3MBTL1 (0.35) TUBB1LMNAMAPK1HTTKDM1A
SCHEMBL29490924 0.78 HTR2A (0.35) ENPP2CA1CA2
SCHEMBL16654543 0.78 HTR2A (0.35) ENPP2CA1CA2
SCHEMBL31010853 0.78 ENPP2 (0.33) ENPP2CA1CA2LMNAMAPK1
SCHEMBL177479 0.78 CES2 (0.42) ENPP2CA1CA2
SCHEMBL3771015 0.77 ENPP2 (0.41) ENPP2CA1CA2TUBB1TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856179-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-05-13 EP disclosed
US-20240327410-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2024-10-03 US disclosed
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN disclosed
US-11993601-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV 2024-05-28 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
CN-110066236-B 1H-pyrrole derivative, preparation method thereof, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2023-03-24 CN disclosed
US-11597728-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-03-07 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220315583-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-06 US disclosed
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US disclosed
WO-2012168162-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS FIROOZNIA FARIBORZ (US) 2012-12-06 US disclosed
WO-2012129491-A1 TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-09-27 WO disclosed
US-20120245124-A1 TRPV3 Modulators ABBOTT LABORATORIES (US) 2012-09-27 US disclosed
WO-2012104263-A2 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 WO disclosed
US-20120196863-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS SIENA BIOTECH S.P.A. (IT) 2012-08-02 US disclosed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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 (11 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ENPP2 251/4885CA1 4510/4885CA2 4082/4885
US-20120196863-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 ENPP2 619/4885CA1 352/4885CA2 595/4885
US-20120245124-A1 TRPV3 Modulators TRPV3, TRPV2, TRPV1 ENPP2 353/4885CA1 1350/4885CA2 118/4885
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 ENPP2 42/4885CA1 3761/4885CA2 4445/4885
US-11993601-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ENPP2 251/4885CA1 4510/4885CA2 4082/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R ENPP2 13/4885CA1 4240/4885CA2 4398/4885
US-11597728-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ENPP2 251/4885CA1 4510/4885CA2 4082/4885
US-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB ENPP2 631/4885CA1 4595/4885CA2 2991/4885
US-20240327410-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ENPP2 251/4885CA1 4510/4885CA2 4082/4885
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS ACAT2, ACAT1, CYP27A1 ENPP2 557/4885CA1 1588/4885CA2 1495/4885
US-20220315583-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ENPP2 251/4885CA1 4510/4885CA2 4082/4885

“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.