SCHEMBL71046

SCHEMBL71046

ClCOCOCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
TACR1 P25103 2/20 0.40
NAAA Q02083 1/20 0.38

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
SCHEMBL19520 0.88 TSHR (0.70) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL223907 0.88 TSHR (0.78) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL10660158 0.86 TSHR (0.67) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL30397113 0.86 TSHR (0.67) TSHRIDO1AGXTALDH1A1CA1
Phosphine SCHEMBL7705717 0.86 TSHR (0.67) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL53267 0.85 TSHR (0.74) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL70291 0.85 TSHR (0.74) TSHRIDO1AGXTALDH1A1CA1
Hydrochloric Acid SCHEMBL28406455 0.84 TSHR (0.64) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL14673871 0.83 TSHR (0.56) TSHRIDO1AGXTALDH1A1CA1
Magnesium Chloride Anhydrous SCHEMBL28406453 0.82 TSHR (0.61) TSHRIDO1AGXTALDH1A1CA1

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-4653419-A1 LINKER FOR ANTIBODY-DRUG CONJUGATES, AND ANTIBODY-DRUG CONJUGATE Otsuka Pharmaceutical Co., Ltd. (JP) 2025-11-26 EP disclosed
WO-2024154763-A1 LINKER FOR ANTIBODY-DRUG CONJUGATES, AND ANTIBODY-DRUG CONJUGATE 大塚製薬株式会社 2024-07-25 WO disclosed
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 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 (4 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 TSHR 2972/4885IDO1 3042/4885AGXT 3363/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 TSHR 3047/4885IDO1 3142/4885AGXT 3395/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 TSHR 3028/4885IDO1 3688/4885AGXT 3370/4885
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, SIK1 TSHR 4226/4885IDO1 912/4885AGXT 3596/4885

“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.