SCHEMBL7104841

SCHEMBL7104841

CCC/C=C(\C(=O)CBr)C(=O)OCCCCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.44
TSHR P16473 4/20 0.44
NAAA Q02083 1/20 0.43
HCAR2 Q8TDS4 2/20 0.39
EP300 Q09472 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL7104844 1.00 FAAH (0.44) FAAHTSHRNAAAHCAR2EP300
SCHEMBL7107499 0.95 ATM (0.42) FAAHTSHRNAAAHCAR2EP300
SCHEMBL7107496 0.95 ATM (0.42) FAAHTSHRNAAAHCAR2EP300
SCHEMBL7105793 0.94 FAAH (0.44) FAAHTSHRNAAAHCAR2EP300
SCHEMBL7100789 0.94 FAAH (0.48) FAAHTSHRNAAAHCAR2EP300
SCHEMBL7100787 0.94 FAAH (0.48) FAAHTSHRNAAAHCAR2EP300
SCHEMBL7105792 0.94 FAAH (0.44) FAAHTSHRNAAAHCAR2EP300
SCHEMBL7104211 0.91 EP300 (0.46) FAAHTSHRNAAAHCAR2EP300
SCHEMBL7104207 0.91 EP300 (0.46) FAAHTSHRNAAAHCAR2EP300
SCHEMBL7100073 0.89 ATM (0.42) FAAHTSHRNAAAHCAR2EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000939-B1 Producing z-isomer of hydrogen bromide salt of 2-aminothiazole derivative SUMITOMO CHEMICAL CO (JP) 2003-09-17 EP disclosed
US-6403572-B1 REACTING ACID SALT OF A 2-AMINOTHIAZOLE COMPOUND WITH INORGANIC ACID SUMITOMO CHEMICAL CO., LTD. (JP) 2002-06-11 US disclosed
US-20020058818-A1 Producing Z-isomer of hydrogen bromide salt of 2-aminothiazole derivative SUMITOMO CHEMICAL CO., LTD. 2002-05-16 US disclosed
US-6340763-B1 SALT FORMATION AND CRYSTALLIZATION, REACTION OF HALOGENATED COMPOUND AND THIOUREA COMPOUND SUMITOMO CHEMICAL CO., LTD. (JP) 2002-01-22 US disclosed
EP-1000939-A1 Producing z-isomer of hydrogen bromide salt of 2-aminothiazole derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-17 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-20020058818-A1 Producing Z-isomer of hydrogen bromide salt of 2-aminothiazole derivative ZYX, H1-0, HAO2 FAAH 4261/4885TSHR 698/4885NAAA 3730/4885

“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.