SCHEMBL6490797

SCHEMBL6490797

CC(C)(C)OC(=O)N[C@@H](CO)Cc1cccc(Oc2ncccc2C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
CTSS P25774 6/20 0.42
CTSK P43235 5/20 0.42
CTSB P07858 4/20 0.42
CTSL P07711 2/20 0.41
ATM Q13315 1/20 0.40
AAK1 Q2M2I8 2/20 0.40
CYP3A4 P08684 5/20 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
SCHEMBL6490793 1.00 PTPN1 (0.42) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL6488430 0.90 PTPN1 (0.50) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL6480495 0.90 PTPN1 (0.50) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL6489863 0.90 PTPN1 (0.50) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL6164195 0.77 CTSS (0.51) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL18930761 0.77 CTSS (0.51) PTPN1CTSSCTSKCTSBCTSL
SCHEMBL30916035 0.77 ATM (0.52) CTSSCTSKCTSBCTSLATM
SCHEMBL4728627 0.77 PTPN1 (0.64) PTPN1CTSSCTSKCTSBCTSL
Hydrochloric Acid SCHEMBL6479449 0.76 AKT1 (0.38)
Hydrochloric Acid SCHEMBL6479446 0.76 AKT1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 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 (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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 PTPN1 3414/4885CTSS 4294/4885CTSK 4608/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 PTPN1 3592/4885CTSS 4072/4885CTSK 4681/4885

“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.