Sugi Predict

Sugi Predict / Compounds / SCHEMBL201758

SCHEMBL201758

SCHEMBL201758

C#Cc1ccc(C(C)(C)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.47
▸ HDAC8 Q9BY41 2/20 0.39
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ GABRA4 P48169 1/20 0.38
▸ GABRE P78334 1/20 0.38
▸ GABRA6 Q16445 1/20 0.38
▸ GABRG1 Q8N1C3 1/20 0.38
▸ GABRG3 Q99928 1/20 0.38
▸ GABRQ Q9UN88 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ CA12 O43570 1/20 0.35

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
SCHEMBL28297150 0.80 PTPN1 (0.45) PTPN1HDAC8GABRPGABRDGABRA1
SCHEMBL5181294 0.80 ESR1 (0.46) PTPN1HDAC8GABRPGABRDGABRA1
SCHEMBL165547 0.80 KIF11 (0.52) PTPN1HDAC8GABRPGABRDGABRA1
SCHEMBL8047439 0.80 PTPN1 (0.50) PTPN1HDAC8GABRPGABRDGABRA1
SCHEMBL196799 0.79 MEN1 (0.48) HSD11B1CSNK1DGSK3BMEN1KMT2A
SCHEMBL12238654 0.79 PTPN1 (0.42) PTPN1HDAC8GABRPGABRDGABRA1
SCHEMBL31403398 0.78 KIF11 (0.50) PTPN1HDAC8GABRPGABRDGABRA1
SCHEMBL13694339 0.76 PTPN1 (0.34) PTPN1HDAC8GABRA1GABRB2
SCHEMBL17729292 0.76 PDE2A (0.45) PTPN1HDAC8GABRPGABRDGABRA1
SCHEMBL379565 0.76 KIF11 (0.59) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888006-B1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES USEFUL AS AMPK ACTIVATORS MERCK SHARP & DOHME (US) 2019-04-24 — — EP disclosed
CN-105829288-B Antibacterial 1H- indazole and 1H- indole derivatives 爱杜西亚药品有限公司 2019-01-15 — — CN disclosed
CN-105531264-B Antibacterial 2H-indazole derivatives 爱杜西亚药品有限公司 2018-04-10 — — CN disclosed
EP-3083567-B1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-07 — — EP disclosed
EP-3044211-B1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-01-03 — — EP disclosed
US-9802901-B2 Antibacterial 2H-indazole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-31 — — US disclosed
US-9624206-B2 Antibacterial 1H-indazole and 1H-indole derivatives ACTELION PHARMACEUTICALS LTD (CH) 2017-04-18 — — US disclosed
US-20170029411-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-02-02 — — US disclosed
EP-3083567-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2016-10-26 — — EP disclosed
US-20160221959-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2016-08-04 — — US disclosed
EP-1863818-B1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-03-10 — — EP disclosed
US-20090221779-A1 FILM FORMING COMPOSITION, INSULATING FILM, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2009-09-03 — — US disclosed
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES GATTI MCARTHUR SILVIA 2008-12-04 — — US disclosed
US-7446113-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-04 — — US disclosed
CN-101180299-A Ethynyl-pyrazolopyrimidine derivatives as MGLUR2 antagonists HOFFMANN LA ROCHE (CH) 2008-05-14 — — CN disclosed
EP-1863818-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 — — EP disclosed
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives MCARTHUR SILVIA G 2007-07-19 — — US disclosed
US-7238808-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-07-03 — — US disclosed
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-09-28 — — US disclosed
WO-2006099972-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 — — 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 (6 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-20160221959-A1 ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES H1-3, MRPL21, H1-0 PTPN1 4198/4885HDAC8 1079/4885GABRP 4321/4885
US-20080300250-A1 ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES NAT1, TPMT, ACAT1 PTPN1 3947/4885HDAC8 1584/4885GABRP 2064/4885
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, TPMT, ACAT1 PTPN1 3947/4885HDAC8 1584/4885GABRP 2064/4885
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, ADORA2B, TPMT PTPN1 4050/4885HDAC8 1982/4885GABRP 1863/4885
US-20170029411-A1 ANTIBACTERIAL 1H-INDAZOLE AND 1H-INDOLE DERIVATIVES MRPL21, PYM1, DRD3 PTPN1 1562/4885HDAC8 1903/4885GABRP 1961/4885
US-20090221779-A1 FILM FORMING COMPOSITION, INSULATING FILM, AND ELECTRONIC DEVICE CCNT1, CCNA1, BMI1 PTPN1 88/4885HDAC8 4616/4885GABRP 4434/4885

“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.