SCHEMBL17022699

SCHEMBL17022699

CCCCCCCCCCOCC(=O)c1c(O)n(C(C)=O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ CES2 O00748 1/20 0.41
▸ PLA2G2A P14555 2/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ OXER1 Q8TDS5 1/20 0.39

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
SCHEMBL17022475 1.00 POLB (0.42) POLBCES2PLA2G2APSEN1PSEN2
SCHEMBL17022488 0.85 OXER1 (0.47) CES2OXER1
SCHEMBL17022676 0.85 MEN1 (0.43) —
SCHEMBL17022575 0.85 MEN1 (0.43) —
SCHEMBL17022658 0.84 OXER1 (0.42) CES2OXER1
SCHEMBL17022569 0.84 OXER1 (0.42) CES2OXER1
SCHEMBL17022684 0.82 CNR2 (0.41) —
SCHEMBL17022558 0.82 CNR2 (0.41) —
SCHEMBL17022673 0.81 NAMPT (0.44) —
SCHEMBL17022504 0.80 AGTR1 (0.41) POLBPLA2G2AAGTR1OXER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2910547-B1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG UNIV OKAYAMA (JP) 2017-06-14 — — EP disclosed
US-9512075-B2 Compound; tautomer and geometric isomer thereof; salt of said compound, tautomer, or geometric isomer; method for manufacturing said compound, tautomer, isomer, or salt; antimicrobial agent; and anti-infective drug OKAYAMA UNIVERSITY (JP) 2016-12-06 — — US disclosed
US-20150291523-A1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2015-10-15 — — US disclosed
EP-2910547-A1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG Okayama University (JP) 2015-08-26 — — 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 (1 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-20150291523-A1 COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG FURIN, ACE, SHARPIN POLB 4091/4885CES2 2525/4885PLA2G2A 4775/4885

“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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