SCHEMBL52628

SCHEMBL52628

O=C1CCC(C(C(=O)O)C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL9056848 0.88 THRB (0.64) THRBCYP3A4CYP2C9CYP2C19
SCHEMBL7765194 0.86 MMP1 (0.35) THRBCYP3A4CYP2C9CYP2C19MMP1
SCHEMBL25660393 0.79 THRB (0.39) THRBCYP2C9CYP2C19
SCHEMBL2488687 0.79 THRB (0.42) THRBCYP3A4CYP2C9CYP2C19MMP1
SCHEMBL6433430 0.79 THRB (0.39) THRBCYP3A4CYP2C9CYP2C19MMP1
SCHEMBL27864827 0.77 MEN1 (0.35) THRBCYP3A4CYP2C9CYP2C19
SCHEMBL5181141 0.76 THRB (0.81) THRBCYP3A4CYP2C9CYP2C19MMP1
SCHEMBL5180385 0.76 THRB (0.81) THRBCYP3A4CYP2C9CYP2C19MMP1
SCHEMBL52741 0.76 THRB (0.81) THRBCYP3A4CYP2C9CYP2C19MMP1
SCHEMBL4948620 0.75

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
CN-118119613-A Benzimidazoles as IL-17 modulators 詹森药业有限公司 2024-05-31 CN disclosed
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 WO 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG THRB 4214/4885CYP3A4 319/4885CYP2C9 602/4885

“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.