SCHEMBL6791799

SCHEMBL6791799

C=CCn1nc2c(c1C(=O)O)CCc1cc(O)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.43
ESR1 P03372 2/20 0.41
ESR2 Q92731 1/20 0.41
CYP2C9 P11712 5/20 0.40
CYP2C8 P10632 4/20 0.39
AKR1B1 P15121 2/20 0.38
SLC22A6 Q4U2R8 2/20 0.37
SLC22A8 Q8TCC7 2/20 0.37
S1PR1 P21453 3/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
MIF P14174 2/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL6787073 0.82 ALDH1A1 (0.32) MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1656581 0.80 HCAR2 (0.44) HCAR2ESR1CYP2C9CYP2C8AKR1B1
SCHEMBL6794633 0.79 KDM4E (0.33) ALDH1A1
SCHEMBL6792714 0.78 HCAR2 (0.55) HCAR2ESR1CYP2C9CYP2C8AKR1B1
SCHEMBL881069 0.78 HCAR2 (0.45) HCAR2ESR2CYP2C9CYP2C8AKR1B1
Hydrochloric Acid SCHEMBL6793305 0.73 CCNA2 (0.42)
SCHEMBL6793511 0.72 CDK2 (0.33) ALDH1A1
SCHEMBL6793266 0.72 MAPKAPK2 (0.41) MEN1ALDH1A1KMT2A
SCHEMBL6793002 0.70 HCAR2 (0.41) HCAR2ESR1ESR2CYP2C9CYP2C8
SCHEMBL6793335 0.70 HCAR2 (0.49) HCAR2ESR1ESR2CYP2C9CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 HCAR2 1767/4885ESR1 4622/4885ESR2 2515/4885

“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.