Sugi Predict

Sugi Predict / Compounds / SCHEMBL10162222

SCHEMBL10162222

SCHEMBL10162222

CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4cccc(F)c4)nc4c(F)cnn34)(CC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 5/20 0.43
▸ ADAMTS4 O75173 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ RET P07949 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ HSD17B13 Q7Z5P4 1/20 0.37
▸ PANK1 Q8TE04 1/20 0.37
▸ PANK3 Q9H999 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ SCD O00767 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL10162221 0.91 MMP13 (0.43) MMP13ADAMTS4MMP3RETLMNA
SCHEMBL10162218 0.90 MMP13 (0.46) MMP13ADAMTS4MMP3LMNASCD
SCHEMBL10162223 0.89 MMP13 (0.41) MMP13ADAMTS4MMP3TP53ALDH1A1
SCHEMBL10162233 0.89 MMP13 (0.42) MMP13ADAMTS4MMP3LMNASMN1; SMN2
SCHEMBL10162205 0.89 MMP13 (0.46) MMP13ADAMTS4MMP3LMNASMN1; SMN2
SCHEMBL10162209 0.88 MMP13 (0.44) MMP13ADAMTS4MMP3MAPK1HPGD
SCHEMBL10162206 0.88 LMNA (0.42) MMP13ADAMTS4MMP3RETLMNA
SCHEMBL10162247 0.86 MMP13 (0.46) MMP13ADAMTS4MMP3ADORA3ADORA2A
SCHEMBL10162267 0.86 LMNA (0.39) MMP13RETLMNATHRBADORA3
SCHEMBL10162271 0.86 ALDH1A1 (0.44) MMP13ADAMTS4MMP3LMNATP53

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.