SCHEMBL375680

SCHEMBL375680

O=C(Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 5/20 0.75
RECQL P46063 5/20 0.75
KMT2A Q03164 5/20 0.75
HSD17B10 Q99714 5/20 0.75
TDP1 Q9NUW8 5/20 0.75
MEN1 O00255 3/20 0.75
ALDH1A1 P00352 3/20 0.75
USP2 O75604 2/20 0.75
HPSE Q9Y251 4/20 0.64
MAPT P10636 4/20 0.64
PKM P14618 4/20 0.64
P2RX1 P51575 3/20 0.64
P2RX3 P56373 3/20 0.64
P2RY11 Q96G91 3/20 0.64
SIRT2 Q8IXJ6 3/20 0.64
SIRT1 Q96EB6 3/20 0.64
BRCA1 P38398 2/20 0.64
ENPP3 O14638 1/20 0.64
ENTPD3 O75355 1/20 0.64
NR1I2 O75469 1/20 0.64

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
SCHEMBL11466435 0.90 TIMP3 (0.76) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL375471 0.90 P2RY11 (0.80) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL4649703 0.90 APEX1 (0.66) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL30818027 0.90 APEX1 (0.66) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL18136599 0.89 TIMP3 (0.93) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL3300014 0.87 HSD17B10 (0.74) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL3358966 0.86 RECQL (1.00) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL30392305 0.86 RECQL (1.00) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL3359656 0.85 TIMP3 (1.00) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11593603 0.85 TIMP3 (0.68) TIMP3RECQLKMT2AHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1624753-B1 PURINERGIC MODULATION OF SMELL UNIV UTAH RES FOUND (US) 2012-01-25 EP claimed
US-9901624-B2 Methods and compositions for treating nephrogenic diabetes insipidus THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2018-02-27 US disclosed
US-20170035859-A1 METHODS AND COMPOSITIONS FOR TREATING NEPHROGENIC DIABETES INSIPIDUS KISHORE BELLAMKONDA K (US) 2017-02-09 US disclosed
EP-1807065-B1 METHODS AND COMPOSITIONS FOR TREATING NEPHROGENIC DIABETES INSIPIDUS UNIV UTAH RES FOUND (US) 2012-03-28 EP disclosed
EP-2410332-A1 Method for identifying purinergic modulators of the olfactory system The University Of Utah (US) 2012-01-25 EP disclosed
EP-1624753-B1 PURINERGIC MODULATION OF SMELL UNIV UTAH RES FOUND (US) 2012-01-25 EP disclosed
US-20090297497-A1 Methods and compositions for treating nephrogenic diabetes and insipidus NATIONAL INSTITUTES OF HEALTH 2009-12-03 US disclosed
US-7557092-B2 Purinergic modulation of smell UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2009-07-07 US disclosed
EP-1624753-A4 PURINERGIC MODULATION OF SMELL UNIV UTAH RES FOUND (US) 2007-11-07 EP disclosed
US-20060264398-A1 Purinergic modulation of smell NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-11-23 US disclosed
EP-1624753-A2 PURINERGIC MODULATION OF SMELL The University of Utah Research Foundation (US) 2006-02-15 EP disclosed
WO-2004047749-A2 PURINERGIC MODULATION OF SMELL UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2004-06-10 WO disclosed
WO-2003103675-A2 COMBINATION TREATMENTS FOR PURINOCEPTOR-RELATED DISORDERS ENDACEA, INC. (US) 2003-12-18 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-20060264398-A1 Purinergic modulation of smell P2RX5, P2RX3, P2RX6 TIMP3 4224/4885RECQL 2681/4885KMT2A 4718/4885

“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.