Sugi Predict

Sugi Predict / Compounds / SCHEMBL222001

SCHEMBL222001

SCHEMBL222001

CN(C)[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ CYP2D6 P10635 1/20 0.50
▸ SRC P12931 1/20 0.50
▸ LMNA P02545 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ELOVL1 Q9BW60 1/20 0.45
▸ NR4A2 P43354 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL10540988 1.00 ALDH1A1 (0.51) ALDH1A1GAACYP2D6SRCLMNA
SCHEMBL628680 1.00 ALDH1A1 (0.51) ALDH1A1GAACYP2D6SRCLMNA
Hydrochloric Acid SCHEMBL2554908 0.98 ALDH1A1 (0.50) ALDH1A1GAACYP2D6SRCLMNA
Hydrochloric Acid SCHEMBL571538 0.98 ALDH1A1 (0.50) ALDH1A1GAACYP2D6SRCLMNA
Hydrochloric Acid SCHEMBL2552119 0.98 ALDH1A1 (0.50) ALDH1A1GAACYP2D6SRCLMNA
SCHEMBL18510081 0.86 SRC (0.50) ALDH1A1GAACYP2D6SRCLMNA
SCHEMBL3329130 0.84 ALDH1A1 (0.50) ALDH1A1GAACYP2D6SRCLMNA
SCHEMBL8921482 0.84 ALDH1A1 (0.50) ALDH1A1GAACYP2D6SRCLMNA
SCHEMBL30900470 0.84 SRC (0.48) ALDH1A1GAACYP2D6SRCLMNA
SCHEMBL8273288 0.84 ALDH1A1 (0.50) ALDH1A1GAACYP2D6SRCLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594683-B Glutaminase GLS1 inhibitor and preparation method and application thereof 杭州禹胜医药科技有限公司 2023-06-16 — — CN disclosed
CN-115594683-A Glutaminase GLS1 inhibitor and preparation method and application thereof 杭州禹胜医药科技有限公司（CN） 2023-01-13 — — CN disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 — — EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 — — US disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 — — US disclosed
EP-2990406-B1 BENZIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING BENZIDINE DERIVATIVE FOR TREATING LIVER DISEASE CAUSED BY HEPATITIS C VIRUS SEOUL NAT UNIV R&DB FOUNDATION (KR) 2018-12-26 — — EP disclosed
US-20180298011-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2018-10-18 — — US disclosed
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 — — EP disclosed
EP-2513113-B1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS LLC (US) 2018-08-01 — — EP disclosed
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 — — US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — 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 (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-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885GAA 151/4885CYP2D6 2617/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885CYP2D6 1861/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885GAA 151/4885CYP2D6 2617/4885
US-20180298011-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS ALDH1A1 1823/4885GAA 1676/4885CYP2D6 728/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885CYP2D6 1861/4885

“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.