SCHEMBL3330772

SCHEMBL3330772

CCOC(=O)c1cccc(Cl)c1OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.47
CDC25B P30305 2/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
BAZ2B Q9UIF8 1/20 0.47
BAZ2A Q9UIF9 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
METTL3 Q86U44 1/20 0.46
CYP1A2 P05177 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
SCHEMBL27968972 0.88 TSHR (0.54) TSHRALDH1A1HSD17B10L3MBTL1CDC25B
SCHEMBL27968857 0.87 TSHR (0.58) TSHRALDH1A1HSD17B10KMT2AL3MBTL1
SCHEMBL8262732 0.87 NR4A2 (0.47) TSHRALDH1A1HSD17B10KMT2AL3MBTL1
SCHEMBL27968870 0.87 ALDH1A1 (0.50) TSHRALDH1A1HSD17B10KMT2AL3MBTL1
SCHEMBL3820817 0.86 CXCR5 (0.51) TSHRALDH1A1HSD17B10KMT2AL3MBTL1
SCHEMBL27968967 0.86 TSHR (0.53) TSHRALDH1A1HSD17B10KMT2AL3MBTL1
SCHEMBL7378022 0.84 L3MBTL1 (0.48) TSHRALDH1A1HSD17B10L3MBTL1CDC25B
SCHEMBL6695034 0.84 TSHR (0.54) TSHRALDH1A1HSD17B10KMT2AL3MBTL1
SCHEMBL31173665 0.83 KMT2A (0.53) TSHRALDH1A1HSD17B10KMT2AL3MBTL1
SCHEMBL9735541 0.83 TSHR (0.61) TSHRALDH1A1HSD17B10KMT2ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360085-A1 Glucose Uptake Inhibitors KADMON CORPORATION, LLC (US) 2024-10-31 US disclosed
US-12030857-B2 Glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2024-07-09 US disclosed
US-12030857-B2 Glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2024-07-09 US disclosed
US-20220363648-A1 Glucose Uptake Inhibitors KADMON CORPORATION, LLC 2022-11-17 US disclosed
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 US disclosed
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 US disclosed
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 US disclosed
EP-1744754-A1 MORPHOLINE COMPOUNDS Pfizer Limited (GB) 2007-01-24 EP disclosed
WO-2005105100-A1 MORPHOLINE COMPOUNDS PFIZER LIMITED (GB) 2005-11-10 WO disclosed
US-20050250775-A1 Novel compounds FISH PAUL V 2005-11-10 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 (6 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-12030857-B2 Glucose uptake inhibitors SLC2A1, SLC2A4, SLC2A2 TSHR 3168/4885ALDH1A1 1422/4885HSD17B10 749/4885
US-20220363648-A1 Glucose Uptake Inhibitors SLC2A1, SLC2A4, SLC2A2 TSHR 3168/4885ALDH1A1 1422/4885HSD17B10 749/4885
US-20050250775-A1 Novel compounds OPRL1, UGT1A1, NPSR1 TSHR 3672/4885ALDH1A1 275/4885HSD17B10 2100/4885
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain OPRL1, MYLK2, TNNT2 TSHR 4580/4885ALDH1A1 758/4885HSD17B10 4264/4885
US-20240360085-A1 Glucose Uptake Inhibitors SLC2A3, SLC2A1, SLC2A4 TSHR 2854/4885ALDH1A1 1565/4885HSD17B10 806/4885
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof OPRL1, UGT1A1, HTR3B TSHR 3645/4885ALDH1A1 690/4885HSD17B10 2940/4885

“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.