SCHEMBL2012332

SCHEMBL2012332

CC(C)c1c(F)c(F)c(F)c(C(C)C)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 5/20 0.40
LDHB P07195 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
ALB P02768 3/20 0.37
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
EIF4A3 P38919 4/20 0.33
MAPK1 P28482 1/20 0.31
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
TAS1R2 Q8TE23 2/20 0.31

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
SCHEMBL29926429 0.93 SMN1; SMN2 (0.42) LDHALDHBSMN1; SMN2PKMFABP3
SCHEMBL7855511 0.93 SMN1; SMN2 (0.42) LDHALDHBSMN1; SMN2PKMFABP3
SCHEMBL8357047 0.86 SMN1; SMN2 (0.41) LDHALDHBSMN1; SMN2PKMFABP3
SCHEMBL12650279 0.86 LDHA (0.40) LDHALDHBSMN1; SMN2PKMFABP3
SCHEMBL31586352 0.82 LDHA (0.47) LDHALDHBFABP3FABP4ALB
SCHEMBL12631960 0.79 PKM (0.34) SMN1; SMN2PKM
SCHEMBL12695313 0.77 PKM (0.37) SMN1; SMN2PKMTAS1R3TAS1R1TAS1R2
SCHEMBL29504076 0.77 LDHA (0.44) LDHALDHBFABP3FABP4ALB
SCHEMBL5441713 0.77 LDHA (0.44) LDHALDHBFABP3FABP4ALB
SCHEMBL22418970 0.76 LDHA (0.47) LDHALDHBFABP3FABP4ALB

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-9745252-B2 Cross-linking moiety NATIONAL UNIVERSITY OF SINGAPORE (SG) 2017-08-29 US disclosed
US-9745252-B2 Cross-linking moiety NATIONAL UNIVERSITY OF SINGAPORE (SG) 2017-08-29 US disclosed
US-9745252-B2 Cross-linking moiety NATIONAL UNIVERSITY OF SINGAPORE (SG) 2017-08-29 US disclosed
EP-2507309-A1 A CROSS-LINKING MOIETY National University of Singapore (SG) 2012-10-10 EP disclosed
US-20120244294-A1 CROSS-LINKING MOIETY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-09-27 US disclosed
US-20120244294-A1 CROSS-LINKING MOIETY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-09-27 US disclosed
US-20120244294-A1 CROSS-LINKING MOIETY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-09-27 US disclosed
WO-2011068482-A1 A CROSS-LINKING MOIETY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2011-06-09 WO disclosed
WO-2011068482-A1 A CROSS-LINKING MOIETY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2011-06-09 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-20120244294-A1 CROSS-LINKING MOIETY ARF1, ARF6, ARF4 LDHA 4840/4885LDHB 4809/4885SMN1; SMN2 3078/4885

“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.