Sugi Predict

Sugi Predict / Compounds / SCHEMBL1473740

SCHEMBL1473740

SCHEMBL1473740

CC(N)(c1ccc(C(=O)O)cc1)c1ccccn1.[KH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ AGTR1 P30556 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TNF P01375 1/20 0.40
▸ KLF5 Q13887 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ NOD1 Q9Y239 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ RARB P10826 1/20 0.40
▸ RARG P13631 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ BLM P54132 2/20 0.39

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
SCHEMBL1649314 0.82 CHRM2 (0.47) MEN1KMT2AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL4379933 0.82 CHRM2 (0.47) MEN1KMT2AKDM4EL3MBTL1SMN1; SMN2
SCHEMBL1921572 0.75 SMN1; SMN2 (0.54) MEN1CYP1A2KMT2AKDM4EPOLB
Hydrochloric Acid SCHEMBL15353020 0.73 SMN1; SMN2 (0.52) MEN1CYP1A2KMT2AKDM4EPOLB
SCHEMBL31073982 0.73 L3MBTL1 (0.48) CYP1A2KMT2AKDM4EPOLBALDH1A1
SCHEMBL622397 0.73 L3MBTL1 (0.48) CYP1A2KMT2AKDM4EPOLBALDH1A1
SCHEMBL2086831 0.73 L3MBTL1 (0.48) CYP1A2KMT2AKDM4EPOLBALDH1A1
SCHEMBL28230085 0.71 KDM4E (0.39) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL18773511 0.71 RAB9A (0.46) SRD5A2MEN1CYP1A2KMT2AKDM4E
SCHEMBL65824 0.69 SRD5A2 (0.61) SRD5A2MEN1CYP1A2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 — — US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 — — US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 — — US disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 — — WO disclosed
EP-1701960-A1 CYSTEINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-09-20 — — EP disclosed
WO-2005066180-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 — — 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 (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-20080234260-A1 Cysteine Protease inhibitors CTSS, CTSZ, CTSK SRD5A2 163/4885MEN1 2218/4885CYP1A2 1743/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK SRD5A2 131/4885MEN1 2181/4885CYP1A2 1512/4885

“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.