SCHEMBL627390

SCHEMBL627390

COC(=O)NC(CCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
ACE P12821 1/20 0.51
CTSL P07711 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CNR2 P34972 1/20 0.47
TSHR P16473 1/20 0.47
PRSS1 P07477 1/20 0.47
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
CMA1 P23946 1/20 0.47

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
SCHEMBL627389 1.00 MME (0.52) MMECTSSCTSKACECTSL
SCHEMBL12661114 0.89 CTSS (0.51) MMECTSSCTSKCTSLSMN1; SMN2
SCHEMBL12661102 0.89 CTSS (0.51) MMECTSSCTSKCTSLSMN1; SMN2
SCHEMBL12256772 0.88 TGM2 (0.48) MMECTSSCTSKACECTSL
SCHEMBL8305419 0.86 PPARA (0.46) MMEHTTALDH1A1TSHR
SCHEMBL6401372 0.86 ALDH1A1 (0.54) SMN1; SMN2KMT2AHTTALDH1A1
SCHEMBL27349990 0.86 ALDH1A1 (0.54) SMN1; SMN2KMT2AHTTALDH1A1
SCHEMBL7406394 0.86 FPR2 (0.48) MMECTSSCTSKACECTSL
SCHEMBL7406392 0.86 FPR2 (0.48) MMECTSSCTSKACECTSL
SCHEMBL8315015 0.86 ALDH1A1 (0.54) SMN1; SMN2KMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
CN-102459165-B Antiviral compound ABBVIE (US) 2015-09-02 CN disclosed
CN-102459165-A Anti-viral compounds ABBOTT LAB 2012-05-16 CN disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 EP disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
EP-0430459-B1 Tetrahydronaphthalene derivatives and preparation thereof TANABE SEIYAKU CO (JP) 1994-06-22 EP disclosed
US-5206418-A Thromboxan A2 antagonist TANABE SEIYAKU CO., LTD. (JP) 1993-04-27 US disclosed
US-5206428-A Anticoagulants TANABE SEIYAKU CO., LTD. (JP) 1993-04-27 US disclosed
EP-0430459-A1 Tetrahydronaphthalene derivatives and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1991-06-05 EP 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 (1 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MME 131/4885CTSS 445/4885CTSK 632/4885

“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.