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Sugi Predict / Compounds / SCHEMBL10162181

SCHEMBL10162181

SCHEMBL10162181

CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)nc4ccnn34)(CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.44
▸ KCNN3 Q9UGI6 1/20 0.43
▸ DHFR P00374 1/20 0.41
▸ MMP13 P45452 3/20 0.41
▸ ALPL P05186 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CCR1 P32246 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ DDT P30046 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MLYCD O95822 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 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
SCHEMBL10162199 0.91 PDE2A (0.40) MMP13TRPV1
SCHEMBL10162206 0.90 LMNA (0.42) MMP13LMNAHPGD
SCHEMBL10162187 0.88 KCNN3 (0.46) KCNN3GLSRIPK1
SCHEMBL10162257 0.88 HRH4 (0.46) HRH4DHFRMMP13KMT2ACCR1
SCHEMBL10162176 0.87 MMP13 (0.44) MMP13
SCHEMBL10162190 0.86 KCNA5 (0.39) KCNN3MMP13RIPK1
SCHEMBL10162179 0.85 MMP13 (0.39) MMP13
SCHEMBL10162184 0.85 MMP13 (0.37) MMP13LMNAHPGD
SCHEMBL10162203 0.85 SMN1; SMN2 (0.40) MMP13LMNA
SCHEMBL10162185 0.84 MMP13 (0.47) MMP13

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 HRH4 2271/4885KCNN3 2625/4885DHFR 1153/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 HRH4 2271/4885KCNN3 2625/4885DHFR 1153/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HRH4 2271/4885KCNN3 2625/4885DHFR 1153/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HRH4 2271/4885KCNN3 2625/4885DHFR 1153/4885

“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.