SCHEMBL98479

SCHEMBL98479

N#Cc1cccc([C]=O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
GSK3B P49841 2/20 0.46
CLK4 Q9HAZ1 1/20 0.45
FBP1 P09467 1/20 0.43
FFAR1 O14842 1/20 0.42
KCNA5 P22460 1/20 0.42
GLA P06280 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
XDH P47989 1/20 0.41
SLC22A12 Q96S37 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
Water SCHEMBL28137572 0.87 TSHR (0.61) ENPP2TSHRALDH1A1MAPTGSK3B
SCHEMBL28886 0.87 APP (0.35) ENPP2TSHRMEN1ALDH1A1MAPT
SCHEMBL9289 0.87 TSHR (0.61) ENPP2TSHRALDH1A1MAPTGSK3B
SCHEMBL2817154 0.87 TSHR (0.61) ENPP2TSHRALDH1A1MAPTGSK3B
SCHEMBL31261443 0.85 ENPP2 (0.48) ENPP2TSHRMEN1ALDH1A1MAPT
Formaldehyde SCHEMBL27996410 0.84 TSHR (0.52) ENPP2TSHRMEN1ALDH1A1MAPT
Fluoride SCHEMBL28362409 0.84 TSHR (0.58) ENPP2TSHRALDH1A1MAPTGSK3B
Hydrochloric Acid SCHEMBL19327577 0.84 TSHR (0.58) ENPP2TSHRALDH1A1MAPTGSK3B
Hydrochloric Acid SCHEMBL9124177 0.84 CYP3A4 (0.33) ENPP2TSHRMEN1ALDH1A1MAPT
SCHEMBL27977620 0.84 TSHR (0.58) ENPP2TSHRALDH1A1MAPTGSK3B

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 526 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109796418-A Phenylalanine derivative and the preparation method and application thereof containing 4- phenyl -1,2,3- triazole 山东大学 2019-05-24 CN claimed
EP-2139884-B1 PROCESS FOR PREPARING OF 2'-DEOXY-2'2'-DIFLUOROCYTIDINE DONGWOO SYNTECH CO LTD (KR) 2013-12-04 EP claimed
US-7994310-B2 Process for preparing 2′-deoxy-2′, 2′-difluorocytidine DONGWOO SYNTECH CO., LTD. (KR) 2011-08-09 US claimed
US-20100069625-A1 PROCESS FOR PREPARING OF 2'-DEOXY-2'2'-DIFLUOROCYTIDINE DONGWOO SYNTECH CO., LTD (KR) 2010-03-18 US claimed
EP-2139884-A1 PROCESS FOR PREPARING OF 2'-DEOXY-2'2'-DIFLUOROCYTIDINE Dongwoo Syntech Co., Ltd. (KR) 2010-01-06 EP claimed
WO-2008117955-A1 PROCESS FOR PREPARING OF 2'-DEOXY-2'2'-DIFLUOROCYTIDINE DONGWOO SYNTECH CO., LTD. (KR) 2008-10-02 WO claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
US-20030092634-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-05-15 US claimed
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 US claimed
US-6388081-B1 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries LION BIOSCIENCE AG (DE) 2002-05-14 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
US-5049551-A Antitumor UBE INDUSTRIES, LTD. (JP) 1991-09-17 US claimed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP claimed

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-20100069625-A1 PROCESS FOR PREPARING OF 2'-DEOXY-2'2'-DIFLUOROCYTIDINE DPYD, DUT, DHPS ENPP2 3295/4885TSHR 2364/4885MEN1 3589/4885
US-20030092634-A1 Novel compounds and compositions as protease inhibitors SERPINB1, HPN, CTRL ENPP2 616/4885TSHR 4781/4885MEN1 4105/4885

“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.