SCHEMBL907208

SCHEMBL907208

CC(=O)CCSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
ALDH1A1 P00352 6/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
IDO1 P14902 1/20 0.43
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
CES1 P23141 1/20 0.43

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
SCHEMBL11904034 0.85 ALDH1A1 (0.61) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8746687 0.82 ALDH1A1 (0.64) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8811170 0.79 MAPT (0.58) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL5657641 0.79 MAPT (0.57) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL11427588 0.79 MAPK1 (0.47) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL7297643 0.77 MAPT (0.58) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL9570633 0.77 MAPT (0.58) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL907414 0.77 HPGD (0.60) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL5105394 0.76 CA2 (0.56) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8973697 0.76 MAPT (0.54) MAPTALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133099-B1 Conjugated biological molecules and their preparation POLYTHERICS LTD (GB) 2017-04-19 EP disclosed
US-9439974-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2016-09-13 US disclosed
EP-2253330-B1 Conjugated biological molecules and their preparation POLYTHERICS LTD (GB) 2015-08-19 EP disclosed
EP-2277550-B1 Process for the preparation of conjugated biological molecules. POLYTHERICS LTD (GB) 2015-04-29 EP disclosed
US-20140369960-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION ABZENA (CAMBRIDGE) LIMITED (GB) 2014-12-18 US disclosed
US-8816051-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2014-08-26 US disclosed
US-8470863-B2 Derivatives and analogs of chroman as functionally selective ALPHA2C adrenoreceptor agonists MERCK SHARP & DOHME, CORP. (US) 2013-06-25 US disclosed
US-20110182855-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION POLYTHERICS LIMITED (GB) 2011-07-28 US disclosed
US-7939630-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2011-05-10 US disclosed
EP-2277550-A1 Conjugated biological molecules and their preparation Polytherics Limited (GB) 2011-01-26 EP disclosed
EP-2253330-A2 Conjugated biological molecules and their preparation Polytherics Limited (GB) 2010-11-24 EP disclosed
US-20100168195-A1 DERIVATIVES AND ANALOGS OF CHROMAN AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
EP-2133099-A2 Conjugated biological molecules and their preparation Polytherics Limited (GB) 2009-12-16 EP disclosed
US-20090298154-A1 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2009-12-03 US disclosed
US-7595292-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2009-09-29 US disclosed
EP-1648518-B1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION POLYTHERICS LTD (GB) 2009-08-26 EP disclosed
US-20060210526-A1 polyoxyethylene glycol-protein conjugate linked via linking group ABZENA (CAMBRIDGE) LIMITED (GB) 2006-09-21 US disclosed
EP-1648518-A2 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION Polytherics Limited (GB) 2006-04-26 EP disclosed
WO-2005007197-A2 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION POLYTHERICS LIMITED (GB) 2005-01-27 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 (5 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-20140369960-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION F13B, F13A1, ZYX MAPT 4472/4885ALDH1A1 3197/4885POLB 567/4885
US-20110182855-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION F13B, ZYX, F13A1 MAPT 4643/4885ALDH1A1 3013/4885POLB 308/4885
US-20100168195-A1 DERIVATIVES AND ANALOGS OF CHROMAN AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRA2A MAPT 3752/4885ALDH1A1 1551/4885POLB 4033/4885
US-20090298154-A1 Conjugated biological molecules and their preparation F13B, ZYX, F13A1 MAPT 4643/4885ALDH1A1 3013/4885POLB 308/4885
US-20060210526-A1 polyoxyethylene glycol-protein conjugate linked via linking group F13A1, F13B, SSB MAPT 4536/4885ALDH1A1 4140/4885POLB 1274/4885

“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.