Sugi Predict

Sugi Predict / Compounds / SCHEMBL3660211

SCHEMBL3660211

SCHEMBL3660211

O=C(c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.71
▸ CNR1 P21554 1/20 0.71
▸ SRD5A2 P31213 2/20 0.64
▸ P2RX1 P51575 2/20 0.59
▸ CES2 O00748 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.56
▸ ATM Q13315 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ LMNA P02545 1/20 0.51
▸ TACR1 P25103 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ AKR1C3 P42330 1/20 0.50
▸ AKR1C2 P52895 1/20 0.50
▸ RXRA P19793 1/20 0.50
▸ RXRB P28702 1/20 0.50
▸ RXRG P48443 1/20 0.50

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
SCHEMBL31081586 0.96 CNR2 (0.66) CNR2CNR1SRD5A2P2RX1CES2
SCHEMBL11210670 0.89 CNR2 (0.63) CNR2CNR1SRD5A2P2RX1CES2
SCHEMBL16180051 0.87 CES2 (0.73) CNR2CNR1SRD5A2P2RX1CES2
SCHEMBL1044812 0.86 SRD5A2 (0.83) CNR2CNR1SRD5A2CES2ATM
SCHEMBL1781341 0.83 SRD5A2 (0.77) CNR2CNR1SRD5A2P2RX1CES2
SCHEMBL5980475 0.82 CES2 (0.55) CNR2CNR1SRD5A2CES2RXRA
SCHEMBL5310287 0.82 AKR1C3 (0.58) CNR2CNR1SRD5A2P2RX1CES2
SCHEMBL9934058 0.80 SRD5A2 (0.55) CNR2CNR1SRD5A2P2RX1CES2
SCHEMBL20526134 0.80 SRD5A2 (0.55) CNR2CNR1SRD5A2P2RX1CES2
SCHEMBL17151090 0.80 ALOX15 (0.58) CNR2CNR1SRD5A2P2RX1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107879911-B Method for preparing aromatic ketone in water phase 绍兴文理学院 2020-12-18 — — CN disclosed
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2020-05-14 — — US disclosed
US-10538509-B2 Decarboxylative cross-coupling and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-01-21 — — US disclosed
CN-107879911-A A kind of method that aromatic ketone is prepared in aqueous phase 绍兴文理学院 2018-04-06 — — CN disclosed
US-9663476-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2017-05-30 — — US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 — — US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 — — US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 — — US disclosed
EP-2947067-A1 Glycine transporter-1 inhibitors Amgen, Inc (US) 2015-11-25 — — EP disclosed
US-20150307457-A1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2015-10-29 — — US disclosed
EP-2041088-A1 GLYCINE TRANSPORTER-1 INHIBITORS Amgen Inc. (US) 2009-04-01 — — EP disclosed
WO-2008002583-A1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2008-01-03 — — WO disclosed
US-20080004289-A1 Glycine transporter-1 inhibitors AMGEN INC. 2008-01-03 — — US disclosed
US-6074837-A USING A MODIFIED FIBRINOGEN AS A CALIBRATION AGENT IN DIAGNOSTIC ASSAYS NEW YORK BLOOD CENTER, INC. (US) 2000-06-13 — — US disclosed
EP-0328111-B1 Cancer cell metastasis inhibitors MEIJI SEIKA CO (JP) 2000-01-19 — — EP disclosed
EP-0472205-B1 Assays using a soluble fibrin-like monomer NEW YORK BLOOD CENTER INC (US) 1997-01-08 — — EP disclosed
US-5250545-A Administering deoxynojirimycins MEIJI SEIKA KAISHA, LTD. (JP) 1993-10-05 — — US disclosed
EP-0472205-A1 Assays using a soluble fibrin-like monomer New York Blood Center, Inc. (US) 1992-02-26 — — EP disclosed
US-4985445-A SUGAR LACTAMS MEIJI SEIKA KAISHA, LTD. (JP) 1991-01-15 — — US disclosed
EP-0328111-A2 Cancer cell metastasis inhibitors MEIJI SEIKA KABUSHIKI KAISHA (JP) 1989-08-16 — — 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 (5 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-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC CNR2 1159/4885CNR1 1732/4885SRD5A2 1954/4885
US-10538509-B2 Decarboxylative cross-coupling and applications thereof PPOX, DDC, DDO CNR2 1099/4885CNR1 1630/4885SRD5A2 1943/4885
US-20080004289-A1 Glycine transporter-1 inhibitors SLC18A2, SLC7A11, SLC6A5 CNR2 1604/4885CNR1 958/4885SRD5A2 2710/4885
US-20150307457-A1 GLYCINE TRANSPORTER-1 INHIBITORS SLC18A2, SLC7A11, SLC6A5 CNR2 1604/4885CNR1 958/4885SRD5A2 2710/4885
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC CNR2 1159/4885CNR1 1732/4885SRD5A2 1954/4885

“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.