SCHEMBL543373

SCHEMBL543373

COC(=O)c1cccc(N=S=O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CFTR P13569 1/20 0.42
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
MAPT P10636 4/20 0.42
THRB P10828 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 2/20 0.41
ATM Q13315 1/20 0.41
MYC P01106 1/20 0.41

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
SCHEMBL10083848 0.81 LMNA (0.47) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL3511612 0.78 LMNA (0.59) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL3125776 0.77 CYP3A4 (0.59) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL18367781 0.76 LMNA (0.42) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL7864367 0.76 LMNA (0.43) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL19726720 0.74 LMNA (0.50) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL19849652 0.73 TSHR (0.53) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL29634134 0.73 TSHR (0.53) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL524457 0.73 LMNA (0.53) ALDH1A1KDM4EHSD17B10LMNATSHR
Dimethyl Phthalate SCHEMBL34630 0.72 TSHR (0.74) ALDH1A1KDM4EHSD17B10LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
CN-101687810-A Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL 2010-03-31 CN disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP 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-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH ALDH1A1 1431/4885KDM4E 2179/4885HSD17B10 745/4885

“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.