SCHEMBL1016603

SCHEMBL1016603

CCOC(=O)c1cc(Br)ccc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRB2 P47870 1/20 0.51
TSHR P16473 2/20 0.50
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
NPSR1 Q6W5P4 3/20 0.45
TBK1 Q9UHD2 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL16108436 0.87 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL234030 0.84 TSHR (0.60) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL26586733 0.83 HPGD (0.39) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL29571295 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL14048740 0.83 TSHR (0.53) ALDH1A1SMN1; SMN2TSHRLMNAMAPK1
SCHEMBL288615 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL17022287 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL31083917 0.81 CA12 (0.70) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL2313707 0.81 CA12 (0.70) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL14841131 0.81 CA12 (0.57) ALDH1A1SMN1; SMN2TSHRLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060622-B1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2019-06-19 EP disclosed
US-9806263-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2017-10-31 US disclosed
US-9806263-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2017-10-31 US disclosed
US-20160276591-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2016-09-22 US disclosed
US-20160276591-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2016-09-22 US disclosed
US-8586550-B2 Thiazole derivatives as SGLT2 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2013-11-19 US disclosed
US-20130090298-A1 Thiazole Derivatives as SGLT2 Inhibitors and Pharmaceutical Composition Comprising Same GREEN CROSS CORPORATION (KR) 2013-04-11 US disclosed
US-20130090298-A1 Thiazole Derivatives as SGLT2 Inhibitors and Pharmaceutical Composition Comprising Same GREEN CROSS CORPORATION (KR) 2013-04-11 US disclosed
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
EP-2081890-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-29 EP disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 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 (3 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-20130090298-A1 Thiazole Derivatives as SGLT2 Inhibitors and Pharmaceutical Composition Comprising Same SLC5A2, SLC5A1, SLC10A2 ALDH1A1 1292/4885SMN1; SMN2 4436/4885GABRA1 3197/4885
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors HTR6, HTR1B, HTR1F ALDH1A1 619/4885SMN1; SMN2 2066/4885GABRA1 1130/4885
US-20160276591-A1 CONJUGATED POLYMERS OCIAD2, OCIAD1, DDT ALDH1A1 2865/4885SMN1; SMN2 4023/4885GABRA1 2274/4885

“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.