SCHEMBL4514871

SCHEMBL4514871

CC1(C)OB(c2ccc3c(c2)CCN3C(=O)[C@@H](Cc2ccccc2)NC(=O)O)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.47
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
FPR1 P21462 4/20 0.42
POLB P06746 4/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
LIPG Q9Y5X9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL4525273 1.00 FPR2 (0.47) FPR2TP53LMNASMN1; SMN2FPR1
SCHEMBL4525604 0.80 TSHR (0.39) FPR2TP53LMNASMN1; SMN2POLB
SCHEMBL19098411 0.80 ALDH1A1 (0.57) TP53LMNASMN1; SMN2POLBTSHR
SCHEMBL30301910 0.80 ALDH1A1 (0.57) TP53LMNASMN1; SMN2POLBTSHR
SCHEMBL1983987 0.78 NPC1 (0.60) SMN1; SMN2GAALIPGALDH1A1
SCHEMBL12502368 0.77 NOTUM (0.43) LMNALIPGALDH1A1
SCHEMBL4525414 0.75 NOTUM (0.56) TP53SMN1; SMN2MAPTALDH1A1
SCHEMBL16289034 0.75 FPR2 (0.49) FPR2LIPGALDH1A1
SCHEMBL16289033 0.75 FPR2 (0.49) FPR2LIPGALDH1A1
SCHEMBL870385 0.75 RIPK1 (0.48) TP53LMNASMN1; SMN2POLBTSHR

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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA FPR2 3158/4885TP53 1574/4885LMNA 3083/4885

“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.