SCHEMBL7709982

SCHEMBL7709982

Cc1cc2c3c(cccc3c1)C(=O)OC2=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMS P04818 13/20 0.64
ALDH1A1 P00352 2/20 0.45
CES2 O00748 1/20 0.42
BCHE P06276 1/20 0.42
CES1 P23141 1/20 0.42
MCL1 Q07820 1/20 0.42
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL13319595 0.81 ALDH1A1 (0.61) TYMSALDH1A1CES2BCHECES1
1,8-Naphthalic Anhydride SCHEMBL30415 0.80 TYMS (1.00) TYMSALDH1A1CES2BCHECES1
1,8-Naphthalic Anhydride SCHEMBL29351054 0.80 TYMS (1.00) TYMSALDH1A1CES2BCHECES1
SCHEMBL4957627 0.79 TYMS (0.67) TYMSALDH1A1CES2BCHECES1
SCHEMBL22580796 0.79 TYMS (0.60) TYMS
SCHEMBL600271 0.78 TYMS (0.64) TYMS
SCHEMBL4960941 0.78 TYMS (0.64) TYMS
SCHEMBL1565203 0.78 TYMS (0.64) TYMS
SCHEMBL22580797 0.78 TYMS (0.64) TYMSALDH1A1CES2BCHECES1
SCHEMBL29434909 0.78 TYMS (0.64) TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079724-A1 SULFONIC ACID DERIVATIVE COMPOUND, PHOTOACID GENERATOR, RESIST COMPOSITION, CATIONIC POLYMERIZATION INITIATOR, AND CATIONICALLY POLYMERIZABLE COMPOSITION ADEKA CORPORATION (JP) 2018-03-22 US disclosed
US-6362181-B1 BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US disclosed
US-6177423-B1 N-(HYDROXY OR PROTECTED HYDROXY)-BENZO(DE)ISOQUINOLINE-1,3-DIONE DERIVATIVES; BACTERIAL DNA GYRASE AND DNA TOPOISOMERASE INHIBITORS USEFUL FOR ANTIBACTERIAL AGENTS HAVING REDUCED DRUG RESISTANCE AND REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 US disclosed
EP-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP disclosed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 WO disclosed
US-4782064-A THROMBOXANE SYNTHETASE INHIBITORS AMERICAN CYANAMID CO. (US) 1988-11-01 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 (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-20180079724-A1 SULFONIC ACID DERIVATIVE COMPOUND, PHOTOACID GENERATOR, RESIST COMPOSITION, CATIONIC POLYMERIZATION INITIATOR, AND CATIONICALLY POLYMERIZABLE COMPOSITION ALAD, ADSL, ACSL3 TYMS 3717/4885ALDH1A1 352/4885CES2 1756/4885

“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.