Sugi Predict

Sugi Predict / Compounds / SCHEMBL2013972

SCHEMBL2013972

SCHEMBL2013972

CNC(=O)c1cc(F)cc(B(O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.39
▸ PDE3B Q13370 2/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PLK1 P53350 2/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL15269861 0.87 HDAC8 (0.47) PDE3BHDAC6HDAC8HDAC2HPGD
SCHEMBL114726 0.82 CES2 (0.54) MAP4K4CES2CES1HDAC6HDAC8
SCHEMBL29952742 0.82 KDM4E (0.44) CES2CES1HDAC6HDAC8HDAC2
SCHEMBL29953277 0.81 CHRM1 (0.38) RAB9AHPGDHTTSMN1; SMN2ALDH1A1
SCHEMBL5151998 0.79 CES2 (0.41) CES2CES1HDAC6HDAC1ALDH1A1
SCHEMBL29954355 0.79 L3MBTL1 (0.44) KDM4EHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL14920217 0.79 KMT2A (0.48) PDE3BKDM4ENPC1RAB9ATSHR
SCHEMBL5152205 0.79 ALDH1A1 (0.41) PDE3BHDAC6HDAC8HDAC2KDM4E
SCHEMBL29953003 0.79 ALDH1A1 (0.41) PDE3BHDAC6HDAC8HDAC2KDM4E
SCHEMBL1933748 0.77 HCAR1 (0.55) CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 — — 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
WO-2022216655-A1 N-(6-((OCTAHYDROCYCLOPENTA[C]PYRROL-5-YI)AMINO)PYRIDAZIN-3-YL)PHENYL)CARBOXAMIDE AND (6- ((OCTAHYDROCYCLOPENTA[C]PYRROL-5-YL)AMINO)PYRIDAZIN-3-YL)BENZAMIDE DERIVATIVES AS MACHR M4 ANTAGONISTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS VANDERBILT UNIVERSITY (US) 2022-10-13 — — WO disclosed
US-11427578-B1 Substituted pyrrolopyridine-derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-08-30 — — US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 — — US disclosed
EP-3655406-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2020-05-27 — — EP disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
WO-2019016071-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-24 — — WO disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
EP-2970353-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-04-18 — — EP disclosed
WO-2009021980-A1 α-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 — — WO disclosed
EP-2025669-A1 Alpha-alkyl substituted N-acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 — — EP disclosed
WO-2009016253-A2 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 — — WO disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 — — EP disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 — — WO disclosed
EP-2018859-A1 Arylmethylene substituted N-acyl-beta-amino alcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-28 — — EP disclosed
EP-1964834-A1 Sulphonyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 — — EP 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
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 (7 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN MAP4K4 1858/4885PDE3B 1282/4885CES2 189/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN MAP4K4 1858/4885PDE3B 1282/4885CES2 189/4885
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 MAP4K4 4675/4885PDE3B 1252/4885CES2 3531/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN MAP4K4 1858/4885PDE3B 1282/4885CES2 189/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R MAP4K4 4554/4885PDE3B 1230/4885CES2 3951/4885
US-11427578-B1 Substituted pyrrolopyridine-derivatives MAP3K4, MAP4K4, MAP4K3 MAP4K4 2/4885PDE3B 850/4885CES2 4748/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAP4K4 1858/4885PDE3B 1282/4885CES2 189/4885

“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.