SCHEMBL5872391

SCHEMBL5872391

CC1NC(=O)OC1(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CREBBP Q92793 2/20 0.35
BRPF1 P55201 1/20 0.35
CFTR P13569 1/20 0.34
GOPC Q9HD26 1/20 0.34
CA2 P00918 1/20 0.34
CYP1A2 P05177 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 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
SCHEMBL5872386 1.00 CRHBP (0.38) CRHBPCRHR2MMP2MMP9CHRNB2
SCHEMBL30812516 1.00 CRHBP (0.38) CRHBPCRHR2MMP2MMP9CHRNB2
SCHEMBL2731860 0.78 BACE1 (0.38) BACE1
SCHEMBL2077742 0.77 ATM (0.35) MMP2MMP9CFTRGOPCCA2
SCHEMBL2513974 0.77 ATM (0.35) MMP2MMP9CFTRGOPCCA2
SCHEMBL2077738 0.77 ATM (0.35) MMP2MMP9CFTRGOPCCA2
SCHEMBL4398746 0.76 CA2 (0.41) CFTRGOPCCA2MEN1KMT2A
SCHEMBL6941289 0.75 TSHR (0.34) MMP2MMP9CHRNB2SLC6A2CHRNB4
SCHEMBL5872354 0.74 GAA (0.35) MMP2MMP9CYP1A2MEN1KMT2A
SCHEMBL5872352 0.74 GAA (0.35) MMP2MMP9CYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845299-B2 Process for the preparation of a fluorolacton derivative GILEAD PHARMASSET LLC (US) 2017-12-19 US disclosed
US-20170183317-A1 PROCESS FOR THE PREPARATION OF A FLUOROLACTION DERIVATIVE GILEAD SCIENCES, INC. 2017-06-29 US disclosed
US-9624183-B2 Process for the preparation of a fluorolacton derivative GILEAD PHARMASSET LLC (US) 2017-04-18 US disclosed
WO-2014016766-A1 GUANIDINE DERIVATIVES AS TRPC MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-30 WO disclosed
US-7126028-B1 Process for preparing chiral compounds THE UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2006-10-24 US disclosed
EP-1135349-A1 PROCESS FOR PREPARING CHIRAL COMPOUNDS UNIVERSITY OF DURHAM (GB) 2001-09-26 EP disclosed
WO-2000034210-A1 PROCESS FOR PREPARING CHIRAL COMPOUNDS UNIVERSITY OF DURHAM (GB) 2000-06-15 WO 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 (1 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-20170183317-A1 PROCESS FOR THE PREPARATION OF A FLUOROLACTION DERIVATIVE CYP3A5, CYP2F1, CYP7A1 CRHBP 4290/4885CRHR2 4510/4885MMP2 1988/4885

“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.