SCHEMBL2438229

SCHEMBL2438229

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.51
▸ CTSS P25774 4/20 0.48
▸ CTSK P43235 3/20 0.48
▸ PSEN1 P49768 4/20 0.45
▸ PSEN2 P49810 4/20 0.45
▸ APH1B Q8WW43 4/20 0.45
▸ NCSTN Q92542 4/20 0.45
▸ APH1A Q96BI3 4/20 0.45
▸ PSENEN Q9NZ42 4/20 0.45
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ APP P05067 4/20 0.44
▸ SYK P43405 1/20 0.44
▸ KLK5 Q9Y337 2/20 0.43
▸ PPARA Q07869 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ AKT1 P31749 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
SCHEMBL2438128 0.86 UGT1A1 (0.49) ATMCTSSCTSKPSEN1PSEN2
SCHEMBL8481817 0.86 ATM (0.57) ATMCTSSCTSKPSEN1PSEN2
SCHEMBL2059402 0.86 ATM (0.57) ATMCTSSCTSKPSEN1PSEN2
SCHEMBL8947270 0.86 ATM (0.57) ATMCTSSCTSKPSEN1PSEN2
SCHEMBL2440555 0.82 ATM (0.48) ATMCTSSCTSKPSEN1PSEN2
SCHEMBL2440558 0.82 ATM (0.48) ATMCTSSCTSKPSEN1PSEN2
SCHEMBL3805582 0.82 ATM (0.55) ATMCTSSCTSKPSEN1PSEN2
SCHEMBL3805577 0.82 ATM (0.55) ATMCTSSCTSKPSEN1PSEN2
SCHEMBL3695644 0.82 ATM (0.68) ATMCTSSCTSKCTSLCTSB
SCHEMBL7301095 0.78 ATM (0.62) ATMCTSSCTSKPSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 — — EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 — — US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 — — US disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 — — US disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 — — US 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 ATM 2476/4885CTSS 69/4885CTSK 204/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP ATM 4055/4885CTSS 62/4885CTSK 76/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP ATM 4055/4885CTSS 62/4885CTSK 76/4885

“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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