SCHEMBL12355573

SCHEMBL12355573

O=C(OC1[C@@H](CO)OC(=O)C1(F)F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 1/20 0.44
▸ LGALS1 P09382 1/20 0.44
▸ LGALS3 P17931 1/20 0.44
▸ LGALS7; LGALS7B P47929 1/20 0.44
▸ RNASE1 P07998 1/20 0.40
▸ RAB9A P51151 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL12355575 1.00 LGALS9 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BRNASE1
SCHEMBL12355571 0.88 KMT2A (0.39) LGALS9LGALS1LGALS3LGALS7; LGALS7BRNASE1
SCHEMBL10017434 0.88 KMT2A (0.39) LGALS9LGALS1LGALS3LGALS7; LGALS7BRNASE1
SCHEMBL10081975 0.87 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BRNASE1
SCHEMBL19326490 0.87 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BRNASE1
SCHEMBL475965 0.87 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BRNASE1
SCHEMBL881734 0.87 ALDH1A1 (0.44) NPC1SMN1; SMN2POLBGAAKMT2A
SCHEMBL13429626 0.87 ALDH1A1 (0.44) NPC1SMN1; SMN2POLBGAAKMT2A
SCHEMBL13848168 0.82 TYMP (0.35) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB
SCHEMBL10017431 0.82 TYMP (0.35) LGALS9LGALS1LGALS3LGALS7; LGALS7BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994310-B2 Process for preparing 2′-deoxy-2′, 2′-difluorocytidine DONGWOO SYNTECH CO., LTD. (KR) 2011-08-09 — — US disclosed
US-20100069625-A1 PROCESS FOR PREPARING OF 2'-DEOXY-2'2'-DIFLUOROCYTIDINE DONGWOO SYNTECH CO., LTD (KR) 2010-03-18 — — US disclosed
US-20100069625-A1 PROCESS FOR PREPARING OF 2'-DEOXY-2'2'-DIFLUOROCYTIDINE DONGWOO SYNTECH CO., LTD (KR) 2010-03-18 — — US disclosed
US-7638642-B2 Method for the preparation of D-erythro-2,2-difluoro-2-deoxy-1-oxoribose derivative Hanmi Pharm, Co., Ltd (KR) 2009-12-29 — — US disclosed
US-7638642-B2 Method for the preparation of D-erythro-2,2-difluoro-2-deoxy-1-oxoribose derivative Hanmi Pharm, Co., Ltd (KR) 2009-12-29 — — US disclosed
US-20090221811-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2009-09-03 — — US disclosed
US-20090221811-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2009-09-03 — — US disclosed
US-20080262215-A1 GEMCITABINE PRODUCTION PROCESS CHEMAGIS LTD. (IL) 2008-10-23 — — US disclosed
US-20080058509-A1 Method for the Preparation of D-Erythro-2,2-Difluoro-2-Deoxy-1-Oxoribose Derivative HANMI PHARM, CO., LTD. (KR) 2008-03-06 — — US disclosed
US-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-10-25 — — US disclosed
US-20070191598-A1 Process for Preparing Gemcitabine and Associated Intermediates CHEMAGIS LTD. (IL) 2007-08-16 — — 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-20100069625-A1 PROCESS FOR PREPARING OF 2'-DEOXY-2'2'-DIFLUOROCYTIDINE DPYD, DUT, DHPS LGALS9 3835/4885LGALS1 4693/4885LGALS3 4755/4885
US-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES DPYD, PARP1, PARP2 LGALS9 1046/4885LGALS1 1515/4885LGALS3 904/4885
US-20080262215-A1 GEMCITABINE PRODUCTION PROCESS SAMHD1, DCK, DCTD LGALS9 956/4885LGALS1 1750/4885LGALS3 1391/4885
US-20080058509-A1 Method for the Preparation of D-Erythro-2,2-Difluoro-2-Deoxy-1-Oxoribose Derivative DHPS, DHODH, DHFR LGALS9 4035/4885LGALS1 4295/4885LGALS3 3158/4885
US-20070191598-A1 Process for Preparing Gemcitabine and Associated Intermediates DCTD, DPYD, THPO LGALS9 1692/4885LGALS1 2872/4885LGALS3 1715/4885
US-20090221811-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES THPO, DPYD, DCTD LGALS9 1701/4885LGALS1 2661/4885LGALS3 1891/4885

“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.

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