SCHEMBL536823

SCHEMBL536823

O=[C]c1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA6 P23280 1/20 0.54
CA9 Q16790 1/20 0.54
KMO O15229 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
UNG P13051 1/20 0.48
DAO P14920 1/20 0.48
TSHR P16473 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
FOLH1 Q04609 1/20 0.47
AKR1C3 P42330 1/20 0.47
TP53 P04637 1/20 0.46
KMT2A Q03164 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44

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
SCHEMBL4973133 0.84 CA12 (0.56) CA12CA1CA2CA6CA9
SCHEMBL1044594 0.83 ATM (0.65) CA1CA2HPGDHSD17B10KMT2A
SCHEMBL5664511 0.83 GSK3B (0.42) CA12CA1CA2CA6CA9
SCHEMBL10412856 0.81 CA12 (0.52) CA12CA1CA2CA6CA9
SCHEMBL1927619 0.81 SLC7A11 (0.55) CA12CA1CA2CA6CA9
SCHEMBL16956307 0.81 CA12 (0.52) CA12CA1CA2CA6CA9
SCHEMBL103415 0.81 ALDH1A1 (0.47) CA12CA1CA2CA6CA9
SCHEMBL7136929 0.81 PARP1 (0.55) HSD17B10TSHRKMT2A
SCHEMBL5389398 0.81 MEN1 (0.50) HPGDHSD17B10TP53KMT2ANPC1
SCHEMBL29441888 0.81 GSK3B (0.62) CA12CA1CA2CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106103463-B Bridging type nucleosides and nucleotide 国立大学法人大阪大学 2018-11-30 CN claimed
US-10087178-B2 Substituted spiropyrido[1,2-a]pyrazine derivative and medicinal use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2018-10-02 US claimed
EP-3109254-B1 CROSSLINKED NUCLEOSIDE AND NUCLEOTIDE UNIV OSAKA (JP) 2018-04-11 EP claimed
EP-2940019-B1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2018-03-28 EP claimed
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2017-02-16 US claimed
EP-2940019-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR Japan Tobacco, Inc. (JP) 2015-11-04 EP claimed
CN-104903323-A Substituted spiropyrido [1,2-a ] pyrazine derivative and medical application thereof as HIV integrase inhibitor JAPAN TOBACCO INC 2015-09-09 CN claimed
EP-2632576-B1 METHOD FOR MAKING A COMPOSITE POLYAMIDE MEMBRANE DOW GLOBAL TECHNOLOGIES LLC (US) 2014-10-08 EP claimed
US-20140221378-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2014-08-07 US claimed
US-20100240613-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-09-23 US claimed
US-20080312228-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2008-12-18 US claimed
EP-0254627-B1 DERIVATIVES OF BENZHYDRYLOXYETHYLPIPERAZINE, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Société anonyme: LES LABORATOIRES MERAM (FR) 1992-06-17 EP claimed
CN-87104734-A Benzhydryloxyethylpiperazine derivatives, process for their preparation and pharmaceutical compositions containing them 1988-04-06 CN claimed
EP-0254627-A1 Derivatives of benzhydryloxyethylpiperazine, processes for their preparation and pharmaceutical compositions containing them Société anonyme: LES LABORATOIRES MERAM (FR) 1988-01-27 EP claimed
WO-2024135721-A1 METHOD FOR PRODUCING PRODUCTION INTERMEDIATE, PRODUCTION INTERMEDIATE THEREOF, AND METHOD FOR PRODUCING CROSSLINKED ARTIFICIAL NUCLEIC ACID INTERMEDIATE BY USING SAME 田辺三菱製薬株式会社 2024-06-27 WO disclosed
WO-2024101446-A1 MODIFIED NUCLEOSIDE HAVING GUANIDINO STRUCTURE IN BRIDGED PART AND METHOD FOR PRODUCING OLIGONUCLEOTIDE USING SAME ルクサナバイオテク株式会社 2024-05-16 WO disclosed
CN-112513062-B Oligonucleotide-containing small cell lung cancer therapeutic agent 国立大学法人大阪大学 2024-05-10 CN disclosed
EP-0254627-A1 Derivatives of benzhydryloxyethylpiperazine, processes for their preparation and pharmaceutical compositions containing them Société anonyme: LES LABORATOIRES MERAM (FR) 1988-01-27 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 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 (5 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-10087178-B2 Substituted spiropyrido[1,2-a]pyrazine derivative and medicinal use thereof as HIV integrase inhibitor IMPDH1, IMPDH2, SAV1 CA12 4740/4885CA1 4828/4885CA2 3458/4885
US-20100240613-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD CA12 2790/4885CA1 2747/4885CA2 1962/4885
US-20140221378-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 CA12 4782/4885CA1 4847/4885CA2 3181/4885
US-20080312228-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD CA12 2790/4885CA1 2747/4885CA2 1962/4885
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, SAV1 CA12 4740/4885CA1 4828/4885CA2 3458/4885

“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.