SCHEMBL2772997

SCHEMBL2772997

Cc1nn(-c2c(Cl)cccc2Cl)c(CO)c1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
P2RX7 Q99572 7/20 0.37
GAA P10253 1/20 0.34
HTR6 P50406 2/20 0.34
CFTR P13569 1/20 0.34
HPGD P15428 2/20 0.33
CCNK O75909 1/20 0.33
CCND3 P30281 1/20 0.33
GSK3B P49841 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
CDK6 Q00534 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE4B Q07343 2/20 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
SCHEMBL2772926 0.84 P2RX7 (0.39) P2RX7GAAHPGDSLC22A12MEN1
SCHEMBL3769629 0.82 GABRB3 (0.39) P2RX7GAASMN1; SMN2PDE4BPDE4A
SCHEMBL2771556 0.79 PDE4B (0.39) P2RX7GAAHPGDCCNKCCND3
SCHEMBL2770579 0.76 PDE4B (0.47) P2RX7GAAHPGDMEN1KMT2A
SCHEMBL497962 0.72 GABRB3 (0.47) KCNJ5KCNJ3
SCHEMBL2772721 0.69 KCNJ5 (0.39) MEN1KMT2AKCNJ5KCNJ3
SCHEMBL1095989 0.69 NR1H4 (0.46) CCNKCCND3GSK3BCDK7CDK9
SCHEMBL498227 0.69 NR1H4 (0.47) CCNKCCND3GSK3BCDK7CDK9
SCHEMBL13719047 0.68 HPGD (0.53) P2RX7HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL5018858 0.67 TAAR1 (0.44) CFTRHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 RORC 123/4885P2RX7 802/4885GAA 745/4885

“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.