SCHEMBL2774826

SCHEMBL2774826

CC(C)(CO)OC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
HSD17B10 Q99714 3/20 0.52
LMNA P02545 2/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.48
ACE P12821 8/20 0.46
REN P00797 3/20 0.46
KDM4E B2RXH2 1/20 0.46
F2 P00734 1/20 0.46
LTA4H P09960 1/20 0.46
MAPT P10636 1/20 0.46
PEPD P12955 1/20 0.46
ALOX15 P16050 1/20 0.46
PTGS1 P23219 1/20 0.46
HTR2A P28223 1/20 0.46
PTGS2 P35354 1/20 0.46
HRH1 P35367 1/20 0.46
THPO P40225 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL9893422 0.88 RAB9A (0.55) RAB9AHSD17B10LMNACYP2C19SMN1; SMN2
SCHEMBL12769056 0.88 RAB9A (0.55) RAB9AHSD17B10LMNACYP2C19SMN1; SMN2
SCHEMBL27877016 0.84 HSD17B10 (0.69) RAB9AHSD17B10LMNACYP2C19SMN1; SMN2
SCHEMBL6219872 0.84 HSD17B10 (0.69) RAB9AHSD17B10LMNACYP2C19SMN1; SMN2
SCHEMBL85536 0.84 HSD17B10 (0.69) RAB9AHSD17B10LMNACYP2C19SMN1; SMN2
SCHEMBL67045 0.84 HSD17B10 (0.69) RAB9AHSD17B10LMNACYP2C19SMN1; SMN2
SCHEMBL67044 0.84 HSD17B10 (0.69) RAB9AHSD17B10LMNACYP2C19SMN1; SMN2
SCHEMBL20492528 0.83 HSD17B10 (0.68) RAB9AHSD17B10LMNACYP2C19SMN1; SMN2
Ammonia Solution, Strong SCHEMBL28264574 0.83 HSD17B10 (0.68) RAB9AHSD17B10LMNACYP2C19SMN1; SMN2
Hydrazine SCHEMBL28122430 0.81 HSD17B10 (0.66) RAB9AHSD17B10LMNACYP2C19SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973875-B1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2014-06-11 EP disclosed
US-8304428-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY DISCOVERY, INC. (US) 2012-11-06 US disclosed
US-20100190791-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY PHARMACEUTICALS, INC. (US) 2010-07-29 US disclosed
US-7745464-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY DISCOVERY, INC. 2010-06-29 US disclosed
EP-1973875-A1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS Infinity Discovery, Inc. (US) 2008-10-01 EP disclosed
WO-2007075387-A1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY, INC. (US) 2007-07-05 WO disclosed
US-20070155705-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2007-07-05 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 (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-20100190791-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL3, BCL2, BCL2L1 RAB9A 2066/4885HSD17B10 2893/4885LMNA 3205/4885
US-20070155705-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners BCL3, BCL2, BCL2L1 RAB9A 2066/4885HSD17B10 2893/4885LMNA 3205/4885

“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.