SCHEMBL2530347

SCHEMBL2530347

CC1(C)CCc2c(C(=O)O)nn(CC(F)(F)F)c2C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
POLQ O75417 2/20 0.32
LMNA P02545 2/20 0.31
RAB9A P51151 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
CACNA1G O43497 4/20 0.31
CACNA1H O95180 4/20 0.31
CACNA1I Q9P0X4 3/20 0.31
HDAC9 Q9UKV0 2/20 0.31
AURKA O14965 1/20 0.31
PLK1 P53350 1/20 0.31
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
BUB1 O43683 1/20 0.30

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
SCHEMBL2534722 0.84 ACHE (0.34) CCNA2CDK2CCNA1CACNA1GCACNA1H
SCHEMBL31429349 0.78 LMNA (0.47) CCNA2CDK2CCNA1POLQLMNA
SCHEMBL2471625 0.78 ITK (0.43) CACNA1GCACNA1HCACNA1IAURKATSHR
SCHEMBL2474234 0.76 MAP3K14 (0.32)
SCHEMBL15564460 0.75
SCHEMBL13262952 0.75 NPC1 (0.36) LMNATSHRSMN1; SMN2
SCHEMBL3462091 0.72 BRD4 (0.40) LMNABRD4CREBBPAURKA
SCHEMBL3462657 0.72 MAP3K14 (0.43) CCNA2CDK2CCNA1
SCHEMBL2473580 0.72 NPC1 (0.36) LMNAAURKATSHR
SCHEMBL3462705 0.71 MAPK1 (0.45) LMNATSHRSMN1; 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
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 CCNA2 4274/4885CDK2 3451/4885CCNA1 4103/4885

“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.