SCHEMBL7270690

SCHEMBL7270690

CC(=O)C(=O)Sc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
FFAR1 O14842 1/20 0.41
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 2/20 0.38
NAPRT Q6XQN6 1/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MGLL Q99685 1/20 0.38
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL3087191 0.85 FFAR1 (0.48) HPGDALDH1A1CES2CES1FFAR1
SCHEMBL544810 0.82 HPGD (0.44) HPGDALDH1A1CES2CES1FFAR1
SCHEMBL17322710 0.80 FFAR1 (0.44) HPGDALDH1A1CES2CES1FFAR1
SCHEMBL342299 0.80 CA12 (0.54) HPGDALDH1A1CES2CES1FFAR1
SCHEMBL10952991 0.79 HPGD (0.41) HPGDALDH1A1CES2CES1FFAR1
SCHEMBL17335274 0.77 TSHR (0.45) HPGDALDH1A1FFAR1MTNR1AMTNR1B
SCHEMBL11572273 0.77 HPGD (0.44) HPGDALDH1A1CES2CES1FFAR1
SCHEMBL15547537 0.76 CA12 (0.42) HPGDALDH1A1CES2CES1FFAR1
SCHEMBL20827294 0.76 FFAR1 (0.41) HPGDALDH1A1CES2CES1FFAR1
SCHEMBL7776861 0.74 ALDH1A1 (0.45) HPGDALDH1A1FFAR1MTNR1AMTNR1B

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
US-8946144-B2 Phosphonated glycopeptide and lipoglycopeptide antibiotics and uses thereof for the prevention and treatment of bone and joint infections THE MEDICINES COMPANY (US) 2015-02-03 US disclosed
US-20100113333-A1 PHOSPHONATED GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS, INC. (CA) 2010-05-06 US disclosed
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 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-20100113333-A1 PHOSPHONATED GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS PGLS, BPGM, PAG1 HPGD 2953/4885ALDH1A1 4184/4885CES2 4602/4885

“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.