SCHEMBL730993

SCHEMBL730993

COC(=O)c1cc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)O)CC2)O3)cnc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 7/20 0.47
GAA P10253 6/20 0.47
HPGD P15428 4/20 0.47
CASP1 P29466 4/20 0.47
HSD17B10 Q99714 4/20 0.47
ACACB O00763 5/20 0.46
ACACA Q13085 1/20 0.46
EPHX2 P34913 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
GLA P06280 5/20 0.44
CASP7 P55210 2/20 0.44
CYP1A2 P05177 1/20 0.44
EPHX1 P07099 1/20 0.43
CACNA1C Q13936 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL742279 0.89 KMT2A (0.48) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL741259 0.87 HDAC3 (0.48) KMT2AKDM4EALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL308982 0.86 HDAC3 (0.47) KMT2AKDM4EALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL309074 0.86 HDAC3 (0.47) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL731142 0.82 KMT2A (0.48) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL731952 0.80 KMT2A (0.45) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL733298 0.77 HDAC3 (0.50) KMT2AACACBEPHX2EPHX1CACNA1C
SCHEMBL20288609 0.75 KMT2A (0.49) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL2594720 0.74 ALDH1A1 (0.59) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL15163302 0.74 ACACB (0.52) KMT2AKDM4EALDH1A1GAAHPGD

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
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 KMT2A 3686/4885KDM4E 3445/4885ALDH1A1 113/4885

“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.