SCHEMBL2059557

SCHEMBL2059557

Cc1cc(F)cc(C)c1OCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AGBL2 Q5U5Z8 1/20 0.46
▸ PKM P14618 2/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CD69 Q07108 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PTPRB P23467 1/20 0.44
▸ ELANE P08246 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ PPARD Q03181 2/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ THRA P10827 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ ALOX15 P16050 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
SCHEMBL2059355 0.84 CSNK2A2 (0.49) MCL1CD69HSD17B10HPGDPTPRB
SCHEMBL2058911 0.82 THRA (0.47) PKMMCL1CD69HSD17B10HPGD
SCHEMBL14931907 0.81 MCL1 (0.45) PKMMCL1CD69HSD17B10HPGD
SCHEMBL11570516 0.81 KDM4E (0.55) PKMMCL1TSHRHPGDKMT2A
SCHEMBL3201351 0.81 KMT2A (0.55) MCL1TSHRSMN1; SMN2CD69HSD17B10
SCHEMBL8240454 0.81 MCL1 (0.45) PKMMCL1TSHRCD69HSD17B10
SCHEMBL7386523 0.80 ATM (0.47) SMN1; SMN2HSD17B10KDM4E
SCHEMBL11332162 0.79 HSD17B10 (0.46) PKMMCL1TSHRSMN1; SMN2CD69
SCHEMBL6165860 0.79 HSD17B10 (0.56) MCL1TSHRCD69HSD17B10HPGD
SCHEMBL146965 0.78 SRC (0.50) MCL1CD69HSD17B10HPGDPTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968707-B2 Reacting an amino, hydroxy substituted amide with a heterocyclic substituted carboxylic acid to produce (2S,3S,5S)-2-(2,6-Dimethylphenoxyacetyl) amino-3-hydroxy-5-[2S-1-imidazolidin-2-onyl)-3-methyl-butanoyl] amino-1,6-diphenylhexane; inhibitors of HIV infection ABBOTT LABORATORIES (US) 2011-06-28 — — US disclosed
US-20080139811-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBVIE INC. 2008-06-12 — — US disclosed
US-7279582-B2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2007-10-09 — — US disclosed
US-20030100755-A1 Retroviral protease inhibiting compounds ABBVIE INC. 2003-05-29 — — US disclosed
EP-1295874-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 2003-03-26 — — EP disclosed
US-6472529-B2 VIRICIDES ABBOTT LABORATORIES 2002-10-29 — — US disclosed
EP-0882024-B1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2002-02-06 — — EP disclosed
US-20020004503-A1 Retroviral protease inhibiting compounds ABBVIE INC. 2002-01-10 — — US disclosed
EP-1170289-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 2002-01-09 — — EP disclosed
US-6313296-B1 2-PYRROLIDINONE-1-ACETIC ACID DERIVATIVES; VIRICIDES FOR HUMAN IMMUNODEFICIENCY VIRUS (HIV); ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) TREATMENT ABBOTT LABORATORIES 2001-11-06 — — US disclosed
US-6284767-B1 AIDS; MIXTURE WITH ENZYME INHIBITOR ABBOTT LABORATORIES 2001-09-04 — — US disclosed
US-5914332-A NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS IN TREATING HIV AND AIDS ABBOTT LABORATORIES (US) 1999-06-22 — — US disclosed
US-5905068-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1999-05-18 — — US disclosed
EP-0882024-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS Abbott Laboratories (US) 1998-12-09 — — EP disclosed
EP-0876353-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS Abbott Laboratories (US) 1998-11-11 — — EP disclosed
WO-1997021683-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1997-06-19 — — WO disclosed
WO-1997021685-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1997-06-19 — — 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 (3 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-20080139811-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS SERPINB1, PREP, DNPEP AGBL2 71/4885PKM 3861/4885MCL1 246/4885
US-20030100755-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 AGBL2 84/4885PKM 4119/4885MCL1 167/4885
US-20020004503-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 AGBL2 84/4885PKM 4119/4885MCL1 167/4885

“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.

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