SCHEMBL2413633

SCHEMBL2413633

CC(C)Nc1cccc(C(=O)O)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 4/20 0.46
TTR P02766 3/20 0.46
PTGS2 P35354 3/20 0.46
AKR1C3 P42330 3/20 0.46
ADORA3 P0DMS8 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
HIF1A Q16665 2/20 0.46
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
MT-CO2 P00403 1/20 0.46
PLA2G1B P04054 1/20 0.46

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
SCHEMBL5176786 0.83 PDK1 (0.53) TSHRPDK1PDK2PDK3PDK4
SCHEMBL1899962 0.82 KMT2A (0.54) MEN1KMT2ALMNATTRPTGS2
SCHEMBL26045065 0.76 KMT2A (0.40) MEN1KMT2ALMNATTRPTGS2
Hydrochloric Acid SCHEMBL1788307 0.75 TSHR (0.55) TSHRPDK1PDK2PDK3PDK4
SCHEMBL3529403 0.75 KMT2A (0.55) TSHRPDK1PDK2PDK3PDK4
SCHEMBL1614730 0.74 TSHR (0.77) TSHRPDK1PDK2PDK3PDK4
SCHEMBL5546431 0.74 MAPT (0.48) MEN1KMT2ALMNAPTGS2AKR1C3
SCHEMBL11653586 0.74 PDK1 (0.44) TSHRPDK1PDK2PDK3PDK4
SCHEMBL8165575 0.74 NR4A2 (0.47) PDK1PDK2PDK3PDK4MEN1
SCHEMBL4743711 0.74 TSHR (0.63) TSHRPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906953-B2 Pyrrolidine substitute flavones for the treatment of inflammatory disorders Piramal Enterprises Limited (IN) 2014-12-09 US disclosed
CN-103037860-A Pyrrolidine Substituted Flavones For The Treatment Of Inflammatory Disorders PIRAMAL LIFE SCIENCES LTD 2013-04-10 CN disclosed
EP-2538941-A1 PYRROLIDINE SUBSTITUTED FLAVONES FOR THE TREATMENT OF INFLAMMATORY DISORDERS Piramal Enterprises Limited (IN) 2013-01-02 EP disclosed
US-20120316216-A1 PYRROLIDINE SUBSTITUTE FLAVONES FOR THE TREATMENT OF INFLAMMATORY DISORDERS Piramal Enterprises Limited (IN) 2012-12-13 US disclosed
WO-2011104584-A1 PYRROLIDINE SUBSTITUTED FLAVONES FOR THE TREATMENT OF INFLAMMATORY DISORDERS PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-09-01 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-20120316216-A1 PYRROLIDINE SUBSTITUTE FLAVONES FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, SYVN1, PAH TSHR 4713/4885PDK1 342/4885PDK2 1097/4885

“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.