Sugi Predict

Sugi Predict / Compounds / SCHEMBL6170728

SCHEMBL6170728

SCHEMBL6170728

COC(=O)/C=C/c1cc(C(F)(F)F)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ BACE1 P56817 1/20 0.42
▸ CYP1A1 P04798 7/20 0.41
▸ CYP1B1 Q16678 7/20 0.41
▸ MAOB P27338 2/20 0.40
▸ TTR P02766 1/20 0.40

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
SCHEMBL6170732 1.00 CFTR (0.51) CFTRALDH1A1MAPTLMNAGAA
SCHEMBL6170944 0.89 CFTR (0.55) CFTRALDH1A1MAPTLMNAGAA
SCHEMBL6170951 0.89 CFTR (0.55) CFTRALDH1A1MAPTLMNAGAA
SCHEMBL6170253 0.87 ALDH1A1 (0.47) CFTRALDH1A1MAPTGAAKDM4E
SCHEMBL6170259 0.87 ALDH1A1 (0.47) CFTRALDH1A1MAPTGAAKDM4E
SCHEMBL9493070 0.87 ALDH1A1 (0.51) CFTRALDH1A1MAPTLMNAGAA
SCHEMBL9493078 0.87 ALDH1A1 (0.51) CFTRALDH1A1MAPTLMNAGAA
SCHEMBL18069262 0.85 ESR1 (0.49) CFTRMAPTBACE1CYP1A1CYP1B1
SCHEMBL21247705 0.85 ESR1 (0.49) CFTRMAPTBACE1CYP1A1CYP1B1
SCHEMBL3708005 0.82 ALDH1A1 (0.50) CFTRALDH1A1KDM4EHPGDHSD17B10

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-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 — — US disclosed
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 — — US disclosed
US-11535607-B2 Isoindolines as HDAC inhibitors VALO HEALTH, INC. (US) 2022-12-27 — — US disclosed
US-11535607-B2 Isoindolines as HDAC inhibitors VALO HEALTH, INC. (US) 2022-12-27 — — US disclosed
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS VALO EARLY DISCOVERY, INC. (US) 2021-08-19 — — US disclosed
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS VALO EARLY DISCOVERY, INC. (US) 2021-08-19 — — US disclosed
EP-3784654-A1 ISOINDOLINES AS HDAC INHIBITORS Valo Early Discovery, Inc. (US) 2021-03-03 — — EP disclosed
WO-2019204550-A1 ISOINDOLINES AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-10-24 — — WO disclosed
WO-2019204550-A1 ISOINDOLINES AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-10-24 — — WO disclosed
US-20150353508-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2015-12-10 — — US disclosed
CN-103732578-A Quinolinyl glucagon receptor modulators PFIZER 2014-04-16 — — CN disclosed
WO-2013014569-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2013-01-31 — — WO disclosed
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 — — EP disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 — — US disclosed
EP-1065206-B1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER (US) 2002-10-09 — — EP disclosed
EP-1065204-B1 Bicycliccarbonyl indole compounds as anti-inflammatory/analgesic agents and as COX-2 inhibitors PFIZER (US) 2002-04-10 — — EP disclosed
US-6303628-B1 FOR THE TREATMENT OF A MEDICAL CONDITION IN WHICH PROSTAGLANDINS ARE IMPLICATED AS PATHOGENS IN MAMMALS PFIZER INC 2001-10-16 — — US disclosed
CN-1284064-A 2,3-substituted indole compounds as cox-2 inhibitors PFIZER PHARMA (US) 2001-02-14 — — CN disclosed
EP-1065204-A1 Bicycliccarbonyl indole compounds as anti-inflammatory/analgesic agents and as COX-2 inhibitors PFIZER INC. (US) 2001-01-03 — — EP disclosed
EP-1065206-A1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2001-01-03 — — 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 (4 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-11535607-B2 Isoindolines as HDAC inhibitors HDAC1, HDAC2, HDAC3 CFTR 4095/4885ALDH1A1 1182/4885MAPT 2675/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 CFTR 4093/4885ALDH1A1 1133/4885MAPT 2725/4885
US-20150353508-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 CFTR 125/4885ALDH1A1 3335/4885MAPT 4296/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 CFTR 4095/4885ALDH1A1 1182/4885MAPT 2675/4885

“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.