SCHEMBL2437394

SCHEMBL2437394

O=CNc1nc(CC(=O)N2CCOCC2)cs1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.58
F2 P00734 4/20 0.42
F10 P00742 4/20 0.42
RAB9A P51151 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ADAM17 P78536 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 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
SCHEMBL2437388 0.82 HSD11B1 (0.58) HSD11B1F2F10RAB9AHSD17B1
SCHEMBL13127932 0.79 HSD11B1 (0.54) HSD11B1F2F10RAB9AHSD17B1
SCHEMBL1271298 0.78 KDM4E (0.61) HSD11B1F2F10RAB9AALDH1A1
SCHEMBL20649026 0.78 F2 (0.52) HSD11B1F2F10HSD17B1HSD17B2
SCHEMBL2111372 0.78 SMN1; SMN2 (0.58) HSD11B1RAB9AALDH1A1LMNAMAPT
SCHEMBL3615296 0.76 HSD11B1 (0.67) HSD11B1RAB9AHSD17B1HSD17B2ALDH1A1
SCHEMBL5213000 0.75 GABRA5 (0.53) RAB9AALDH1A1LMNAMAPTKMT2A
SCHEMBL3606758 0.74 HSD11B1 (0.65) HSD11B1HSD17B1HSD17B2ALDH1A1LMNA
SCHEMBL3619100 0.74 HSD11B1 (0.65) HSD11B1HSD17B1HSD17B2ALDH1A1MAPT
SCHEMBL11143253 0.74 KMT2A (0.40) RAB9AALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 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 (2 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP HSD11B1 2989/4885F2 2057/4885F10 2776/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H HSD11B1 2023/4885F2 3594/4885F10 3467/4885

“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.