SCHEMBL9967686

SCHEMBL9967686

Cc1onc(-c2ccccc2Cl)c1C(C)C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
HSD17B10 Q99714 1/20 0.55
GPBAR1 Q8TDU6 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 2/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.46
PLAU P00749 1/20 0.46
ELANE P08246 1/20 0.46
EPAS1 Q99814 1/20 0.46

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
SCHEMBL13145307 0.82 ALDH1A1 (0.55) PTGS1PTGS2GPBAR1L3MBTL1LMNA
SCHEMBL10083918 0.80 PTGS1 (0.66) ATMPTGS1PTGS2HSD17B10GPBAR1
SCHEMBL10394013 0.80 PTGS1 (0.66) ATMPTGS1PTGS2HSD17B10GPBAR1
SCHEMBL12457439 0.78 ALDH1A1 (0.51) ATMPTGS1PTGS2GPBAR1L3MBTL1
SCHEMBL14258658 0.77 PTGS1 (0.62) ATMPTGS1PTGS2HSD17B10GPBAR1
SCHEMBL9967689 0.76 PTGS1 (0.59) ATMPTGS1PTGS2LMNAMAPT
SCHEMBL13423095 0.75 HSD17B10 (0.71) HSD17B10GPBAR1L3MBTL1LMNAMAPT
SCHEMBL256686 0.74 PTGS1 (0.59) ATMPTGS1PTGS2HSD17B10GPBAR1
SCHEMBL21119516 0.74 PTGS1 (0.59) ATMPTGS1PTGS2HSD17B10GPBAR1
SCHEMBL820838 0.74 PTGS1 (0.59) ATMPTGS1PTGS2HSD17B10GPBAR1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371337-B2 β-lactamase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-21 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-20140315861-A1 BETA-LACTAMASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-23 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-8114879-B2 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2012-02-14 US disclosed
US-7928129-B1 Nanomolar β-lactamase inhibitors NORTHWESTERN UNIVERSITY (US) 2011-04-19 US disclosed
US-7825121-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2010-11-02 US disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
US-7271186-B1 Nanomolar β-lactamase inhibitors NORTHWESTERN UNIVERSITY (US) 2007-09-18 US disclosed
US-7271186-B1 Nanomolar β-lactamase inhibitors NORTHWESTERN UNIVERSITY (US) 2007-09-18 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-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR2 ATM 4405/4885PTGS1 1155/4885PTGS2 1750/4885
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD ATM 1485/4885PTGS1 785/4885PTGS2 1501/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD ATM 1485/4885PTGS1 785/4885PTGS2 1501/4885
US-20140315861-A1 BETA-LACTAMASE INHIBITORS BTD, GUSB, BLVRB ATM 2956/4885PTGS1 3372/4885PTGS2 3708/4885

“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.