SCHEMBL6654898

SCHEMBL6654898

CCC(CC)(CCP(=O)(O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.45
LPAR3 Q9UBY5 3/20 0.37
LPAR2 Q9HBW0 1/20 0.37
TYMS P04818 1/20 0.35
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
FDPS P14324 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL18486669 0.86 LPAR3 (0.47) GRM4LPAR3LPAR2TYMSLMNA
SCHEMBL887099 0.82 GRM4 (0.41) GRM4LPAR3LPAR2TYMS
Phosphoric Acid SCHEMBL29213143 0.79 MMP1 (0.33) LPAR3LPAR2MEN1ALDH1A1KMT2A
SCHEMBL9177461 0.78 ALDH1A1 (0.41) MEN1ALDH1A1KMT2ACYP1A2THRB
SCHEMBL2237290 0.78 GRM4 (0.41) GRM4LPAR3LPAR2TYMS
SCHEMBL3044700 0.77 MEN1 (0.35) LPAR3LPAR2MEN1ALDH1A1KMT2A
SCHEMBL2052355 0.76 CYP4F2 (0.56) GRM4LPAR3LPAR2MEN1ALDH1A1
SCHEMBL580695 0.74 ALDH1A1 (0.38) MEN1ALDH1A1KMT2ACYP1A2THRB
SCHEMBL9177295 0.74 CYP4F2 (0.42) MEN1ALDH1A1KMT2ACYP1A2THRB
SCHEMBL9181629 0.74 CYP4F2 (0.47) MEN1ALDH1A1KMT2ACYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed
EP-1147080-B1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP disclosed
US-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2002-10-10 US disclosed
US-6340691-B1 TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-01-22 US disclosed
EP-1147080-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
WO-2000044713-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
US-4591651-A Process for directly converting an aldehyde into an ethylene ester AGRIFURANE S.A. (FR) 1986-05-27 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-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors MMP12, MMP17, MMP14 GRM4 3777/4885LPAR3 2839/4885LPAR2 2251/4885

“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.