SCHEMBL83607

SCHEMBL83607

CSSc1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.50
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 5/20 0.47
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 2/20 0.46
ALPG P10696 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.46
KDM4A O75164 1/20 0.46
TDP2 O95551 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
APOBEC3G Q9HC16 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
SCHEMBL224666 0.87 PDE7A (0.60) PDE7ASMN1; SMN2HSD17B10SLC6A2SLC6A4
SCHEMBL3384869 0.85 PDE7A (0.58) PDE7ASMN1; SMN2HSD17B10SLC6A2SLC6A4
SCHEMBL11209984 0.83 PDE7A (0.56) PDE7ASMN1; SMN2HSD17B10SLC6A2SLC6A4
SCHEMBL11027382 0.83 PDE7A (0.56) PDE7ASMN1; SMN2HSD17B10SLC6A2SLC6A4
SCHEMBL11319431 0.82 PDE7A (0.55) PDE7ASMN1; SMN2HSD17B10SLC6A2SLC6A4
SCHEMBL14113991 0.79 ALDH1A1 (0.50) PDE7ASMN1; SMN2HSD17B10SLC6A2SLC6A4
SCHEMBL4910926 0.79 PDE7A (0.49) PDE7ASMN1; SMN2HSD17B10SLC6A2SLC6A4
SCHEMBL31272173 0.79 PDE7A (0.78) PDE7ASMN1; SMN2HSD17B10SLC6A2SLC6A4
SCHEMBL875772 0.79 PDE7A (0.78) PDE7ASMN1; SMN2HSD17B10SLC6A2SLC6A4
SCHEMBL8734150 0.78 PDE7A (0.51) PDE7ASMN1; SMN2HSD17B10SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527846-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-27 US disclosed
US-9480753-B2 FGF21 derivatives with albumin binder A-B-C-D-E- and their use NOVO NORDISK A/S (DK) 2016-11-01 US disclosed
US-9480753-B2 FGF21 derivatives with albumin binder A-B-C-D-E- and their use NOVO NORDISK A/S (DK) 2016-11-01 US disclosed
US-9440974-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-13 US disclosed
US-20160229852-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-11 US disclosed
US-9359354-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-06-07 US disclosed
US-9315503-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-04-19 US disclosed
US-20160016953-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A (IT) 2016-01-21 US disclosed
US-20150344475-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-03 US disclosed
US-20150327547-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS UNIVERSITY OF SOUTH FLORIDA (US) 2015-11-19 US disclosed
US-8129505-B2 Formed by catalytic polymerization; antibody conjugates UCB PHARMA S.A. (BE) 2012-03-06 US disclosed
US-8129505-B2 Formed by catalytic polymerization; antibody conjugates UCB PHARMA S.A. (BE) 2012-03-06 US disclosed
EP-1926757-B1 ANTIBODY-COMB POLYMER CONJUGATE UCB PHARMA SA (BE) 2012-02-22 EP disclosed
US-20100216715-A1 FGF21 Derivatives With Albumin Binder A-B-C-D-E- And Their Use NOVO NORDISK A/S (DK) 2010-08-26 US disclosed
US-20100021480-A1 BIOACTIVE SUBSTANCE-BLOOD PROTEIN CONJUGATE AND STABILIZATION OF A BIOACTIVE SUBSTANCE USING THE SAME PEPTRON CO., LTD (KR) 2010-01-28 US disclosed
US-20080220005-A1 Comb Polymers UCB PHARMA S.A. (BE) 2008-09-11 US disclosed
US-20080220005-A1 Comb Polymers UCB PHARMA S.A. (BE) 2008-09-11 US disclosed
US-20080182815-A1 Act against several infective agents, and most notably Bacillus spp. and Staphylococcus spp., including infection caused by methicillin-resistant Staphylococcus aureus (MRSA) UNIVERSITY OF SOUTH FLORIDA 2008-07-31 US disclosed
US-20080182815-A1 Act against several infective agents, and most notably Bacillus spp. and Staphylococcus spp., including infection caused by methicillin-resistant Staphylococcus aureus (MRSA) UNIVERSITY OF SOUTH FLORIDA 2008-07-31 US disclosed
WO-2007031734-A1 COMB POLYMERS UCB PHARMA S.A. (BE) 2007-03-22 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 (8 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-20080182815-A1 Act against several infective agents, and most notably Bacillus spp. and Staphylococcus spp., including infection caused by methicillin-resistant Staphylococcus aureus (MRSA) SQOR, TST, COASY PDE7A 3283/4885SMN1; SMN2 1758/4885HSD17B10 156/4885
US-20160016953-A1 KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K6 PDE7A 1195/4885SMN1; SMN2 3494/4885HSD17B10 1721/4885
US-20100216715-A1 FGF21 Derivatives With Albumin Binder A-B-C-D-E- And Their Use FABP1, FABP4, FGFR1 PDE7A 3098/4885SMN1; SMN2 3742/4885HSD17B10 137/4885
US-20150344475-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAPK6 PDE7A 1373/4885SMN1; SMN2 3148/4885HSD17B10 3402/4885
US-20100021480-A1 BIOACTIVE SUBSTANCE-BLOOD PROTEIN CONJUGATE AND STABILIZATION OF A BIOACTIVE SUBSTANCE USING THE SAME SERPINA6, CSTB, PLG PDE7A 992/4885SMN1; SMN2 1093/4885HSD17B10 3063/4885
US-20150327547-A1 N-ALKYLTHIO BETA-LACTAMS, ALKYL-COENZYME A ASYMMETRIC DISULFIDES, AND ARYL-ALKYL DISULFIDES AS ANTI-BACTERIAL AGENTS COASY, SQOR, TST PDE7A 1520/4885SMN1; SMN2 2837/4885HSD17B10 160/4885
US-20160229852-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAPK6 PDE7A 1373/4885SMN1; SMN2 3148/4885HSD17B10 3402/4885
US-20080220005-A1 Comb Polymers C9, F13B, PYM1 PDE7A 4792/4885SMN1; SMN2 3037/4885HSD17B10 3706/4885

“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.