Sugi Predict

Sugi Predict / Compounds / SCHEMBL6160560

SCHEMBL6160560

SCHEMBL6160560

CC(O[Si](C)(C)C(C)(C)C)c1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.41
▸ IDO1 P14902 2/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ MBTD1 Q05BQ5 1/20 0.34
▸ L3MBTL3 Q96JM7 1/20 0.34
▸ KRAS P01116 1/20 0.34
▸ SOS1 Q07889 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ SLC6A4 P31645 3/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ HTR6 P50406 2/20 0.32
▸ AGXT P21549 1/20 0.32

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
SCHEMBL24010070 1.00 APLNR (0.41) APLNRIDO1TDO2MBTD1L3MBTL3
SCHEMBL30161153 1.00 APLNR (0.41) APLNRIDO1TDO2MBTD1L3MBTL3
SCHEMBL13450829 0.81 MAPKAPK2 (0.36) APLNRKRASSOS1ALDH1A1MAPK1
SCHEMBL29904599 0.81 MAPKAPK2 (0.36) APLNRKRASSOS1ALDH1A1MAPK1
SCHEMBL2371930 0.81 MAPKAPK2 (0.36) APLNRKRASSOS1ALDH1A1MAPK1
SCHEMBL23192881 0.81 DHFR (0.44) SLC6A4HTR2CHTR2BHTR6
SCHEMBL8281168 0.81 MAPKAPK2 (0.36) APLNRKRASSOS1ALDH1A1MAPK1
SCHEMBL31042359 0.80 APLNR (0.42) APLNRALDH1A1
SCHEMBL31073192 0.80 APLNR (0.42) APLNRALDH1A1
SCHEMBL408604 0.80 APLNR (0.42) APLNRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132507-A1 TDO2 and IDO1 Inhibitors GENENTECH, INC. 2024-04-25 — — US disclosed
US-11827639-B2 TDO2 and IDO1 inhibitors GENENTECH, INC. (US) 2023-11-28 — — US disclosed
US-11827639-B2 TDO2 and IDO1 inhibitors GENENTECH, INC. (US) 2023-11-28 — — US disclosed
US-11827639-B2 TDO2 and IDO1 inhibitors GENENTECH, INC. (US) 2023-11-28 — — US disclosed
US-20200216456-A1 TDO2 and IDO1 Inhibitors GENENTECH, INC. 2020-07-09 — — US disclosed
EP-3645537-A1 TDO2 AND IDO1 INHIBITORS Genentech, Inc. (US) 2020-05-06 — — EP disclosed
WO-2019006047-A1 TDO2 AND IDO1 INHIBITORS GENENTECH, INC. (US) 2019-01-03 — — WO disclosed
WO-2019006047-A1 TDO2 AND IDO1 INHIBITORS GENENTECH, INC. (US) 2019-01-03 — — WO disclosed
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — US disclosed
US-6979693-B2 Pyrazole derivatives-p38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC (US) 2005-12-27 — — US disclosed
EP-1075467-B1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2005-03-30 — — EP disclosed
US-20030018051-A1 Pyrazole derivatives - p38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2003-01-23 — — US disclosed
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-10-24 — — US disclosed
US-6444696-B1 1-ARYL OR HETEROARYL SUBSTITUTED 5-AMINO-4 CARBONYLPYRAZOLE DERIVATIVES; ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-09-03 — — US disclosed
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-08-01 — — US disclosed
EP-1218346-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-07-03 — — EP disclosed
US-6376527-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES SYNTEX (U.S.A.) LLC 2002-04-23 — — US disclosed
US-6316466-B1 Pyrazole derivatives P-38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 — — US disclosed
WO-2001021591-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-29 — — 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 (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-20030018051-A1 Pyrazole derivatives - p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K8 APLNR 3604/4885IDO1 3437/4885TDO2 4335/4885
US-20240132507-A1 TDO2 and IDO1 Inhibitors IDO1, TDO2, IDO2 APLNR 3449/4885IDO1 1/4885TDO2 2/4885
US-20200216456-A1 TDO2 and IDO1 Inhibitors IDO1, IDO2, TDO2 APLNR 3634/4885IDO1 1/4885TDO2 3/4885
US-11827639-B2 TDO2 and IDO1 inhibitors IDO1, TDO2, IDO2 APLNR 3449/4885IDO1 1/4885TDO2 2/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA APLNR 517/4885IDO1 2837/4885TDO2 4481/4885
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors MAPK1, MAPK8, MAPKAPK2 APLNR 3942/4885IDO1 3154/4885TDO2 4215/4885
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K8 APLNR 3604/4885IDO1 3437/4885TDO2 4335/4885

“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.