SCHEMBL2553039

SCHEMBL2553039

COc1c(C(=O)O)ccc(I)c1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
TPMT P51580 1/20 0.42
MYC P01106 2/20 0.40
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 3/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
APP P05067 1/20 0.37
CYP1A2 P05177 1/20 0.37
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
NOTUM Q6P988 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL5832803 0.85 TDP1 (0.47) TDP1MAPTTPMTMYCALDH1A1
SCHEMBL1919502 0.81 TDP1 (0.50) TDP1MAPTMYCALDH1A1HSD17B10
SCHEMBL27598132 0.80 TDP1 (0.46) TDP1MAPTTPMTALDH1A1HSD17B10
SCHEMBL1505827 0.80 TDP1 (0.61) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL4309406 0.79 MAPT (0.62) TDP1MAPTTPMTMYCALDH1A1
SCHEMBL6474772 0.79 TDP1 (0.58) TDP1MAPTTPMTMYCALDH1A1
SCHEMBL28007255 0.78 CYP1A2 (0.44) TDP1MYCALDH1A1HSD17B10KDM4E
SCHEMBL288168 0.78 TDP1 (0.47) TDP1MAPTMYCALDH1A1HSD17B10
SCHEMBL2552082 0.78 TDP1 (0.47) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL26730159 0.78 TDP1 (0.66) TDP1MAPTTPMTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 US disclosed
US-9771354-B2 Pyrazole p38 map kinase inhibitors RESPIVERT LTD. (GB) 2017-09-26 US disclosed
US-20160130256-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2016-05-12 US disclosed
EP-2556065-B1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2014-12-17 EP disclosed
US-20140323511-A1 CHEMOTHERAPEUTIC FOR INDUCING AN MSH2 DEPENDENT APOPTOTIC PATHWAY WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2014-10-30 US disclosed
EP-2556065-A1 PYRAZOLE P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2013-02-13 EP disclosed
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2013-01-31 US disclosed
WO-2011121366-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-06 WO disclosed
US-5244771-A Bridged indicator dyes used as light-absorbing, pH-sensitive optical filter agents in diffusion transfer POLAROID CORPORATION (US) 1993-09-14 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 (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-20170362208-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R TDP1 2420/4885MAPT 2621/4885TPMT 847/4885
US-20140323511-A1 CHEMOTHERAPEUTIC FOR INDUCING AN MSH2 DEPENDENT APOPTOTIC PATHWAY MSH2, MSH6, MCL1 TDP1 858/4885MAPT 4060/4885TPMT 597/4885
US-10000471-B2 Pyrazole P38 map kinase inhibitors MAPK1, MAP3K1, MAPK3 TDP1 940/4885MAPT 1600/4885TPMT 493/4885
US-20160130256-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R TDP1 2420/4885MAPT 2621/4885TPMT 847/4885
US-20130029990-A1 PYRAZOLE P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 TDP1 1005/4885MAPT 1747/4885TPMT 475/4885

“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.