SCHEMBL17022682

SCHEMBL17022682

CC(=O)n1c(O)c(C(=O)CCCCCCCCCBr)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ HTR7 P34969 4/20 0.41
▸ PLA2G2A P14555 1/20 0.40
▸ OXER1 Q8TDS5 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 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
SCHEMBL17022590 0.83 PLA2G2A (0.40) PLA2G2AKDM4EALDH1A1
SCHEMBL17022701 0.78 HTR7 (0.56) HTR7OXER1ALDH1A1
SCHEMBL7387785 0.76 KMT2A (0.50) PLA2G2AOXER1ALDH1A1
SCHEMBL17022485 0.74 GSK3B (0.47) PLA2G2AOXER1ALDH1A1
SCHEMBL17022496 0.74 PLA2G2A (0.46) PLA2G2AOXER1ALDH1A1
SCHEMBL17022699 0.73 POLB (0.42) POLBPLA2G2AOXER1
SCHEMBL17022475 0.73 POLB (0.42) POLBPLA2G2AOXER1
SCHEMBL18010369 0.73 HTR7 (0.62) HTR7
SCHEMBL17022587 0.72 OXER1 (0.62) PLA2G2AOXER1ALDH1A1
SCHEMBL17022581 0.72 PLA2G2A (0.48) PLA2G2AOXER1

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 4091/4885HTR7 2789/4885PLA2G2A 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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