Sugi Predict

Sugi Predict / Compounds / SCHEMBL3456546

SCHEMBL3456546

SCHEMBL3456546

CC(C)Cc1ccc(C(=O)NN)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 2/20 0.53
▸ PMP22 Q01453 2/20 0.53
▸ MPO P05164 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ KDM5A P29375 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ MAPT P10636 4/20 0.53
▸ EPHX1 P07099 1/20 0.53
▸ LMNA P02545 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ OGG1 O15527 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ PTGS1 P23219 3/20 0.50
▸ PTGS2 P35354 3/20 0.50
▸ CXCR1 P25024 3/20 0.50
▸ CXCR2 P25025 3/20 0.50

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
SCHEMBL8180633 0.85 PLK1 (0.63) BLMPMP22EPHX1LMNAPTGS1
SCHEMBL6919015 0.85 HDAC6 (0.62) ALOX5CHRM1PDE4A
SCHEMBL23513432 0.83 PTGS2 (0.63) BLMPMP22EPHX1LMNAALDH1A1
Bromide SCHEMBL28985567 0.83 MPO (0.52) BLMPMP22MPOCYP3A4KDM5A
SCHEMBL8246709 0.81 ACACB (0.59) BLMPMP22MAPTEPHX1LMNA
SCHEMBL14900332 0.81 RAB9A (0.62) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9369312 0.81 NPC1 (0.56) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL25016755 0.81 CYP1A2 (0.58) BLMPMP22EPHX1CA1CA2
SCHEMBL3456644 0.80 EPHX2 (0.46) BLMPMP22MAPTEPHX1LMNA
SCHEMBL25146750 0.80 PLK1 (0.58) BLMPMP22EPHX1LMNAPTGS1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 — — US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 — — US disclosed
EP-2258700-A1 Cycloalkylamino acid derivatives and pharmaceutical compositions thereof Pfizer Products Inc. (US) 2010-12-08 — — EP disclosed
EP-2258700-A1 Cycloalkylamino acid derivatives and pharmaceutical compositions thereof Pfizer Products Inc. (US) 2010-12-08 — — EP disclosed
US-20100120794-A1 Cycloalkylamino Acid Derivatives BHATTACHARYA SAMIT KUMAR 2010-05-13 — — US disclosed
US-20100120794-A1 Cycloalkylamino Acid Derivatives BHATTACHARYA SAMIT KUMAR 2010-05-13 — — US disclosed
US-20100120794-A1 Cycloalkylamino Acid Derivatives BHATTACHARYA SAMIT KUMAR 2010-05-13 — — US disclosed
US-7671043-B2 Cycloalkylamino acid derivatives PFIZER INC (US) 2010-03-02 — — US disclosed
US-7671043-B2 Cycloalkylamino acid derivatives PFIZER INC (US) 2010-03-02 — — US disclosed
US-7671043-B2 Cycloalkylamino acid derivatives PFIZER INC (US) 2010-03-02 — — US disclosed
WO-2007132307-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-11-22 — — WO disclosed
WO-2007132307-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-11-22 — — WO disclosed
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES PFIZER INC 2007-11-22 — — US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 — — US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 — — US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 — — US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 — — US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 — — US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 — — US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 — — 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 (6 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 BLM 4532/4885PMP22 3596/4885MPO 2316/4885
US-20100120794-A1 Cycloalkylamino Acid Derivatives CCND1, CCND2, CCND3 BLM 206/4885PMP22 1397/4885MPO 1609/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 BLM 4532/4885PMP22 3596/4885MPO 2316/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 BLM 4532/4885PMP22 3596/4885MPO 2316/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 BLM 2664/4885PMP22 3171/4885MPO 359/4885
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES CCND1, CCND2, CCND3 BLM 206/4885PMP22 1397/4885MPO 1609/4885

“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.