Sugi Predict

Sugi Predict / Compounds / SCHEMBL10161709

SCHEMBL10161709

SCHEMBL10161709

CC(=O)c1ccc2c(c1)C[C@@H](O)[C@@H]2NC(=O)c1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)nc2c(F)cnn12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.49
▸ ADAMTS4 O75173 1/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ RORC P51449 8/20 0.43
▸ CHRM2 P08172 2/20 0.40
▸ CHRM4 P08173 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ PSMD14 O00487 1/20 0.36
▸ STAMBP O95630 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ GAS6 Q14393 1/20 0.35
▸ BRAF P15056 2/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ LSS P48449 1/20 0.34

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
SCHEMBL10161670 1.00 MMP13 (0.49) MMP13ADAMTS4MMP3RORCCHRM2
SCHEMBL10161705 0.93 MMP13 (0.48) MMP13ADAMTS4MMP3RORCROCK2
SCHEMBL10161667 0.93 MMP13 (0.48) MMP13ADAMTS4MMP3RORCROCK2
SCHEMBL10161717 0.93 MMP13 (0.47) MMP13ADAMTS4MMP3CHRM2CHRM4
SCHEMBL10161677 0.93 MMP13 (0.47) MMP13ADAMTS4MMP3CHRM2CHRM4
SCHEMBL10161700 0.92 MMP13 (0.60) MMP13ADAMTS4MMP3RORCCHRM2
SCHEMBL10161666 0.92 MMP13 (0.60) MMP13ADAMTS4MMP3RORCCHRM2
SCHEMBL10161691 0.91 MMP13 (0.49) MMP13ADAMTS4MMP3RORCCHRM2
SCHEMBL10161655 0.91 MMP13 (0.49) MMP13ADAMTS4MMP3RORCCHRM2
SCHEMBL10161689 0.89 MMP13 (0.50) MMP13ADAMTS4MMP3RORCCHRM2

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 5 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-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 (3 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-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.