SCHEMBL5227458

SCHEMBL5227458

O=C1CC(C(=O)OCc2ccccc2)C(=O)N1.O=C1CC(C(=O)OCc2ccccc2)C(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.51
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 2/20 0.45
PKM P14618 1/20 0.45
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
BACE1 P56817 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL274968 1.00 GPBAR1 (0.51) GPBAR1DDB1CRBNBRD4CREBBP
SCHEMBL8777371 0.87 KMT2A (0.48) GPBAR1BRD4CREBBPNPC1RAB9A
SCHEMBL24818238 0.86 CRBN (0.53) GPBAR1DDB1CRBNTSHRGAA
SCHEMBL2245383 0.85 LMNA (0.55) GPBAR1GAASMN1; SMN2
SCHEMBL5552455 0.81 MMP1 (0.46) GPBAR1GLANPC1RAB9A
SCHEMBL24125403 0.79 ALDH1A1 (0.44) GPBAR1DDB1CRBNGLATSHR
SCHEMBL7369383 0.77 TSHR (0.49) GPBAR1DDB1CRBNBRD4CREBBP
SCHEMBL148443 0.77 GPBAR1 (0.46) GPBAR1DDB1CRBNBRD4CREBBP
SCHEMBL27280429 0.77 TSHR (0.49) GPBAR1DDB1CRBNBRD4CREBBP
SCHEMBL29088638 0.77 ALDH1A1 (0.46) DDB1CRBNTSHRRAB9ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070111928-A1 Didemnin analogs and fragments and methods of making and using them THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-05-17 US disclosed
EP-1276491-B9 TAMANDARIN AND DIDEMNIN ANALOGS AND METHODS OF MAKING AND USING THEM UNIV PENNSYLVANIA (US) 2007-02-28 EP disclosed
US-7122519-B2 Didemnin analogs and fragments and methods of making and using them THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2006-10-17 US disclosed
EP-1276491-B1 TAMANDARIN AND DIDEMNIN ANALOGS AND METHODS OF MAKING AND USING THEM UNIV PENNSYLVANIA (US) 2006-09-20 EP disclosed
EP-1276491-A4 TAMANDARIN AND DIDEMNIN ANALOGS AND METHODS OF MAKING AND USING THEM UNIV PENNSYLVANIA (US) 2004-08-25 EP disclosed
US-20030104991-A1 Didemnin analogs and fragments and methods of making and using them THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2003-06-05 US disclosed
EP-1276491-A1 TAMANDARIN AND DIDEMNIN ANALOGS AND METHODS OF MAKING AND USING THEM THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2003-01-22 EP disclosed
US-6509315-B1 Useful for, among other things, inhibiting protein synthesis, cell growth, cell proliferation, and tumorigenesis THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2003-01-21 US disclosed
WO-2001076616-A1 TAMANDARIN AND DIDEMNIN ANALOGS AND METHODS OF MAKING AND USING THEM THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2001-10-18 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 (2 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-20030104991-A1 Didemnin analogs and fragments and methods of making and using them BAD, MDN1, HDGF GPBAR1 4797/4885DDB1 89/4885CRBN 725/4885
US-20070111928-A1 Didemnin analogs and fragments and methods of making and using them BAD, MDN1, HDGF GPBAR1 4797/4885DDB1 89/4885CRBN 725/4885

“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.