SCHEMBL2255259

SCHEMBL2255259

CCOC(=O)C1CCC2(CC1)CN(c1ccc3c(c1)OCCO3)C(=O)O2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 2/20 0.47
HSD11B1 P28845 1/20 0.46
SSTR5 P35346 2/20 0.43
GRK2 P25098 1/20 0.42
KMT2A Q03164 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 4/20 0.41
LGMN Q99538 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 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
SCHEMBL2255261 1.00 ALDH1A1 (0.47) ALDH1A1TSHRHSD11B1SSTR5GRK2
SCHEMBL3155412 0.84 KMT2A (0.56) ALDH1A1HSD11B1SSTR5GRK2KMT2A
SCHEMBL2250089 0.84 KMT2A (0.56) ALDH1A1HSD11B1SSTR5GRK2KMT2A
SCHEMBL2250087 0.84 KMT2A (0.56) ALDH1A1HSD11B1SSTR5GRK2KMT2A
SCHEMBL3032058 0.83 HSD11B1 (0.49) ALDH1A1HSD11B1SSTR5KMT2ATDP1
SCHEMBL3037653 0.83 HSD11B1 (0.49) ALDH1A1HSD11B1SSTR5KMT2ATDP1
SCHEMBL13045544 0.82 HSD11B1 (0.51) ALDH1A1HSD11B1SSTR5KMT2ANPC1
SCHEMBL3021457 0.82 HSD11B1 (0.51) ALDH1A1HSD11B1SSTR5KMT2ANPC1
SCHEMBL2998466 0.82 HSD11B1 (0.51) ALDH1A1HSD11B1SSTR5KMT2ANPC1
SCHEMBL3155229 0.80 SSTR5 (0.46) HSD11B1SSTR5GRK2KMT2ACTDSP1

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-7999115-B2 Spiro antibiotic derivatives ACTELION PHARMACEUTICAL LTD. (SE) 2011-08-16 US disclosed
EP-2066678-B1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-02-10 EP disclosed
US-20090270375-A1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 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-20090270375-A1 SPIRO ANTIBIOTIC DERIVATIVES NR0B1, NRDC, NR4A1 ALDH1A1 573/4885TSHR 508/4885HSD11B1 96/4885

“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.