SCHEMBL6135370

SCHEMBL6135370

C[C@H]1CC[C@@H](N2CCN(c3ccc(-c4nnc(-c5ccc(C(=O)O)cc5)s4)cc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.55
HRH3 Q9Y5N1 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CSNK2A2 P19784 3/20 0.46
CSNK2A1 P68400 3/20 0.46
CHEK1 O14757 2/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CSNK2B P67870 1/20 0.43
ALOX15 P16050 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
PDE4D Q08499 1/20 0.40
PDE7A Q13946 1/20 0.40
PPARA Q07869 1/20 0.40
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL6135376 1.00 USP2 (0.55) USP2HRH3MEN1KMT2ACSNK2A2
SCHEMBL6135547 0.90 HRH3 (0.52) USP2HRH3MEN1KMT2ACSNK2A2
SCHEMBL6134406 0.89 HRH3 (0.53) USP2HRH3MEN1KMT2ACSNK2A2
SCHEMBL6134222 0.89 HRH3 (0.53) USP2HRH3MEN1KMT2ACSNK2A2
SCHEMBL6134910 0.88 USP2 (0.67) USP2MEN1KMT2ACHEK1ITGB3
SCHEMBL6135516 0.88 USP2 (0.67) USP2MEN1KMT2ACHEK1ITGB3
SCHEMBL6134907 0.88 USP2 (0.67) USP2MEN1KMT2ACHEK1ITGB3
SCHEMBL6134820 0.88 HRH3 (0.47) USP2HRH3MEN1KMT2ACSNK2A2
SCHEMBL6132314 0.86 HRH3 (0.45) USP2HRH3CSNK2A2CSNK2A1CSNK2B
SCHEMBL6132231 0.86 HRH3 (0.45) USP2HRH3CSNK2A2CSNK2A1CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
CN-1425026-A Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2003-06-18 CN disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 USP2 4776/4885HRH3 1440/4885MEN1 880/4885

“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.