Sugi Predict

Sugi Predict / Compounds / SCHEMBL10163536

SCHEMBL10163536

SCHEMBL10163536

Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC(C)(F)F)n4ncc(F)c4n3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.44
▸ ADAMTS4 O75173 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ CACNA1G O43497 2/20 0.35
▸ CACNA1H O95180 2/20 0.35
▸ CACNA1I Q9P0X4 2/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ TP53 P04637 4/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ GPR55 Q9Y2T6 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33

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
SCHEMBL8222865 0.94 MMP13 (0.44) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL8225565 0.90 TP53 (0.43) MMP13ADAMTS4MMP3KMT2ATP53
SCHEMBL10163535 0.90 MMP13 (0.42) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL8221216 0.90 MMP13 (0.54) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL10163453 0.90 L3MBTL1 (0.45) MMP13ADAMTS4MMP3KMT2ATP53
SCHEMBL10163488 0.90 MMP13 (0.44) MMP13ADAMTS4MMP3KMT2ATP53
SCHEMBL10163503 0.89 MMP13 (0.42) MMP13ADAMTS4MMP3KMT2ATP53
SCHEMBL8228379 0.89 MMP13 (0.44) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL10163512 0.89 MMP13 (0.43) MMP13ADAMTS4MMP3CACNA1GCACNA1H
SCHEMBL8225501 0.89 MMP13 (0.48) MMP13ADAMTS4MMP3CACNA1GCACNA1H

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-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 — — US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 — — US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 — — US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 — — US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 — — US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — 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 (4 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885ADAMTS4 38/4885MMP3 3/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MMP13 1/4885ADAMTS4 38/4885MMP3 3/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885ADAMTS4 38/4885MMP3 3/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MMP13 1/4885ADAMTS4 38/4885MMP3 3/4885

“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.