Sugi Predict

Sugi Predict / Compounds / SCHEMBL7220655

SCHEMBL7220655

SCHEMBL7220655

CC(C)(C)OC(=O)NCc1ccc2[nH]cc(Cl)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.48
▸ TSHR P16473 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ MASP2 O00187 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ GABRP O00591 6/20 0.43
▸ GABRD O14764 6/20 0.43
▸ GABRA1 P14867 6/20 0.43
▸ GABRB1 P18505 6/20 0.43
▸ GABRG2 P18507 6/20 0.43
▸ GABRB3 P28472 6/20 0.43
▸ GABRA5 P31644 6/20 0.43
▸ GABRA3 P34903 6/20 0.43
▸ GABRA2 P47869 6/20 0.43
▸ GABRB2 P47870 6/20 0.43
▸ GABRA4 P48169 6/20 0.43
▸ GABRE P78334 6/20 0.43
▸ GABRA6 Q16445 6/20 0.43
▸ GABRG1 Q8N1C3 6/20 0.43

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
SCHEMBL29792607 1.00 CHRNA7 (0.48) CHRNA7TSHRL3MBTL1GAAMASP2
SCHEMBL29993523 0.86 L3MBTL1 (0.47) L3MBTL1GAAGABRPGABRDGABRA1
SCHEMBL15730129 0.86 L3MBTL1 (0.47) L3MBTL1GAAGABRPGABRDGABRA1
SCHEMBL16756044 0.83 MAPT (0.48) L3MBTL1GABRPGABRDGABRA1GABRB1
SCHEMBL18853888 0.83 THRA (0.47) L3MBTL1TACR1MEN1MAPTKMT2A
SCHEMBL14487904 0.82 KDM4E (0.53) TSHRL3MBTL1TACR1KMT2A
SCHEMBL14487296 0.81 KMT2A (0.49) L3MBTL1SMN1; SMN2TACR1MEN1MAPT
SCHEMBL14487868 0.81 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16881429 0.81 KLKB1 (0.44) L3MBTL1ROCK2
SCHEMBL30937472 0.81 CTSL (0.50) L3MBTL1SMN1; SMN2TACR1MEN1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 — — EP disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 — — US disclosed
WO-2021055621-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2021-03-25 — — WO disclosed
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF CHARLES RIVER LABORATORIES, INC. 2021-03-18 — — US disclosed
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 — — US disclosed
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 — — EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 — — EP disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 — — 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 (2 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-11787796-B2 Plasma Kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 CHRNA7 4470/4885TSHR 4025/4885L3MBTL1 3300/4885
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 CHRNA7 4470/4885TSHR 4025/4885L3MBTL1 3300/4885

“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.