Sugi Predict

Sugi Predict / Compounds / SCHEMBL4918632

SCHEMBL4918632

SCHEMBL4918632

CC(CSC(=O)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ ACE P12821 2/20 0.45
▸ AAK1 Q2M2I8 1/20 0.44
▸ GPR139 Q6DWJ6 1/20 0.43
▸ PPARG P37231 2/20 0.40
▸ PPARD Q03181 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ MME P08473 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ IDO1 P14902 1/20 0.38

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
SCHEMBL9082829 0.83 ESRRB (0.49) KMT2AACEGPR139MMEALDH1A1
SCHEMBL10633562 0.83 ESRRB (0.49) KMT2AACEGPR139MMEALDH1A1
SCHEMBL10639568 0.83 ESRRB (0.49) KMT2AACEGPR139MMEALDH1A1
SCHEMBL18113164 0.82 KMT2A (0.50) KMT2AACEGPR139ALDH1A1
SCHEMBL10633420 0.80 KMT2A (0.43) KMT2AACEGPR139MMEALDH1A1
SCHEMBL5695631 0.79 GPR139 (0.50) KMT2AACEGPR139MMEALDH1A1
SCHEMBL7897731 0.79 GPR139 (0.50) KMT2AACEGPR139MMEALDH1A1
SCHEMBL1356206 0.79 GPR139 (0.50) KMT2AACEGPR139MMEALDH1A1
SCHEMBL11395071 0.79 MLYCD (0.41) KMT2AAAK1PPARGPPARDPPARA
SCHEMBL11391578 0.79 MLYCD (0.41) KMT2AAAK1PPARGPPARDPPARA

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-20080103311-A1 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2008-05-01 — — US disclosed
US-7312333-B2 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2007-12-25 — — US disclosed
US-20060166895-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2006-07-27 — — US disclosed
US-7026485-B2 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-04-11 — — US disclosed
US-7026333-B1 Retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-04-11 — — US disclosed
US-20060040974-A1 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-02-23 — — US disclosed
US-20050004230-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2005-01-06 — — US disclosed
US-6762187-B2 HETEROCYCLIC NITROGEN COMPOUNDS USED AS ENZYME INHIBITORS FOR PROPHYLAXIS OF HUMAN IMMUNODEFICIENCY VIRUS(HIV) MONSANTO COMPANY 2004-07-13 — — US disclosed
US-20030195227-A1 Retroviral protease inhibitors MONSANTO COMPANY (US) 2003-10-16 — — US disclosed
US-20030191166-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-10-09 — — US disclosed
US-6180646-B1 PREVENT REPRODUCTION OF RETROVIRUS MONSANTO COMPANY 2001-01-30 — — US disclosed
WO-2000002862-A1 RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 2000-01-20 — — WO disclosed
EP-0957093-A2 Retrovial protease inhibitors MONSANTO COMPANY (US) 1999-11-17 — — EP disclosed
US-5948790-A VIRICIDES MOSANTO COMPANY (US) 1999-09-07 — — US disclosed
US-5756534-A Retroviral protease inhibitors MONSANTO COMPANY (US) 1998-05-26 — — US disclosed
US-5648364-A HETEROCYCLIC PEPTIDE COMPOUNDS AS ENZYME INHIBITORS MONSANTO COMPANY (US) 1997-07-15 — — US disclosed
US-5643924-A Retroviral protease inhibitors MONSANTO COMPANY OF ST. LOUIS (US) 1997-07-01 — — US disclosed
US-5510349-A HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1996-04-23 — — US disclosed
EP-0641325-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1995-03-08 — — EP disclosed
WO-1993023379-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-11-25 — — 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 (6 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-20080103311-A1 Retroviral protease inhibitors PREP, DNPEP, SERPINB1 KMT2A 1293/4885ACE 51/4885AAK1 3497/4885
US-20060040974-A1 Retroviral protease inhibitors PREP, TMPRSS15, DNPEP KMT2A 599/4885ACE 53/4885AAK1 3636/4885
US-20030195227-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 KMT2A 531/4885ACE 78/4885AAK1 3399/4885
US-20050004230-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 KMT2A 531/4885ACE 78/4885AAK1 3399/4885
US-20030191166-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 KMT2A 746/4885ACE 73/4885AAK1 3054/4885
US-20060166895-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 KMT2A 531/4885ACE 78/4885AAK1 3399/4885

“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.