SCHEMBL20548926

SCHEMBL20548926

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 4/20 0.44
LMNA P02545 2/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
PTPRF P10586 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
KMT2A Q03164 4/20 0.42
CYP2C9 P11712 1/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GSK3B P49841 1/20 0.41
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40

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
SCHEMBL246937 0.83 CES2 (0.59) CES2CES1RAB9ANPC1HPGD
SCHEMBL1489599 0.80 TDP1 (0.55) CES2CES1RAB9ANPC1HPGD
SCHEMBL20548908 0.80 LMNA (0.53) RAB9ANPC1LMNAKMT2ACYP2C9
SCHEMBL424471 0.80 TDP1 (0.55) CES2CES1RAB9ANPC1HPGD
SCHEMBL697038 0.80 TDP1 (0.55) CES2CES1RAB9ANPC1HPGD
SCHEMBL20548928 0.80 ALDH1A1 (0.49) CES2CES1RAB9ANPC1HPGD
SCHEMBL20548835 0.80 ADRB2 (0.47) CES2CES1RAB9ANPC1LMNA
SCHEMBL29673261 0.80 TDP1 (0.55) CES2CES1RAB9ANPC1HPGD
SCHEMBL420405 0.79 ALDH1A1 (0.57) CES2CES1KDM4ELMNAKMT2A
SCHEMBL670258 0.79 ALDH1A1 (0.57) CES2CES1KDM4ELMNAKMT2A

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 CES2 2610/4885CES1 987/4885RAB9A 748/4885
US-20190023712-A1 SYNTHESIS PROCESS OF RUXOLITINIB JAK3, JAK1, JAK2 CES2 2610/4885CES1 987/4885RAB9A 748/4885

“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.