SCHEMBL2311532

SCHEMBL2311532

CCC(C(=O)O)C1CCC(=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 4/20 0.39
CPB2 Q96IY4 4/20 0.39
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP13 P45452 1/20 0.35
CYP1A2 P05177 1/20 0.33
CPA1 P15085 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
SCHEMBL5967397 0.83
SCHEMBL6270743 0.83
SCHEMBL17729142 0.80 CYP2D6 (0.46)
SCHEMBL13278433 0.79 CYP2C9 (0.44) CPN1CPB2CYP2C9CYP2C19HIF1A
SCHEMBL3509472 0.79 CYP2C9 (0.47) CPN1CPB2CYP2C9CYP2C19HIF1A
Cyclohexane SCHEMBL6631080 0.78 CYP2C9 (0.50) CPN1CPB2CYP2C9CYP2C19HIF1A
Cyclohexane SCHEMBL16341926 0.78 CYP2C9 (0.50) CPN1CPB2CYP2C9CYP2C19HIF1A
SCHEMBL13711836 0.78 CYP2C9 (0.50) CPN1CPB2CYP2C9CYP2C19HIF1A
SCHEMBL506450 0.78 CYP2C9 (0.50) CPN1CPB2CYP2C9CYP2C19HIF1A
Cyclohexane SCHEMBL253223 0.78 CYP2C9 (0.50) CPN1CPB2CYP2C9CYP2C19HIF1A

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-10544099-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
US-20190119216-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 US disclosed
EP-3452029-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE Bristol-Myers Squibb Company (US) 2019-03-13 EP disclosed
WO-2017192840-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-09 WO disclosed
WO-2011146371-A1 DIAZENIUMDIOLATE CYCLOHEXYL DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO disclosed
EP-1802633-B1 BENZOTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF TYROSINE KINASE ACTIVITIES OF THE EPIDERMAL GROWTH FACTOR RECEPTORS (EGFRS) FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER SCHERING PHARMA AG (DE) 2011-08-03 EP disclosed
US-7750017-B2 Heterocycles BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-06 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 (2 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-10544099-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT CPN1 1107/4885CPB2 720/4885CYP2C9 2175/4885
US-20190119216-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT CPN1 1107/4885CPB2 720/4885CYP2C9 2175/4885

“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.