SCHEMBL20548835

SCHEMBL20548835

O=C(OC(=O)C(O)C(O)C(=O)OC(=O)c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CASP3 P42574 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
ATM Q13315 1/20 0.42
PKM P14618 1/20 0.41
BCL2L1 Q07817 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
SCHEMBL8223280 0.85 ADRB2 (0.53) ADRB2ADRB1ADRB3CES2CES1
SCHEMBL775620 0.83 CES2 (0.59) CES2CES1CA1CA2NPC1
SCHEMBL20548928 0.80 ALDH1A1 (0.49) CES2CES1CA1CA2NPC1
SCHEMBL20548908 0.80 LMNA (0.53) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL29673261 0.80 TDP1 (0.55) ADRB2ADRB1ADRB3CES2CES1
SCHEMBL424471 0.80 TDP1 (0.55) ADRB2ADRB1ADRB3CES2CES1
SCHEMBL697038 0.80 TDP1 (0.55) ADRB2ADRB1ADRB3CES2CES1
SCHEMBL20548926 0.80 CES2 (0.46) CES2CES1CA1CA2NPC1
SCHEMBL1489599 0.80 TDP1 (0.55) ADRB2ADRB1ADRB3CES2CES1
SCHEMBL582331 0.79 ALDH1A1 (0.57) ADRB2ADRB1ADRB3CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111763209-B Synthesis process of luccotinib 正大天晴药业集团股份有限公司 2021-12-03 CN disclosed
EP-3398952-B1 SYNTHESIS PROCESS OF RUXOLITINIB CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-07-14 EP disclosed
CN-111763209-A Synthesis process of luccotinib 正大天晴药业集团股份有限公司 2020-10-13 CN disclosed
CN-108699063-B Synthesis process of luccotinib 正大天晴药业集团股份有限公司 2020-06-26 CN disclosed
US-10562904-B2 Synthesis process of ruxolitinib CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-02-18 US disclosed
US-20190023712-A1 SYNTHESIS PROCESS OF RUXOLITINIB CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-01-24 US disclosed
EP-3398952-A1 SYNTHESIS PROCESS OF RUXOLITINIB Chai Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2018-11-07 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 (2 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-10562904-B2 Synthesis process of ruxolitinib JAK3, JAK1, JAK2 ADRB2 2283/4885ADRB1 2292/4885ADRB3 1678/4885
US-20190023712-A1 SYNTHESIS PROCESS OF RUXOLITINIB JAK3, JAK1, JAK2 ADRB2 2283/4885ADRB1 2292/4885ADRB3 1678/4885

“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.