SCHEMBL103379

SCHEMBL103379

CCCc1cc(C(=O)O)ncc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 11/20 0.43
ACHE P22303 1/20 0.41
KIT P10721 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
PTPN11 Q06124 1/20 0.40
PIK3CA P42336 1/20 0.39

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
SCHEMBL103826 0.89 MEN1 (0.45) CKS1BSKP1SKP2MEN1MAPT
SCHEMBL104475 0.85 GPR119 (0.42) CKS1BSKP1SKP2MEN1MAPT
SCHEMBL30720199 0.81 GPR119 (0.48) CKS1BSKP1SKP2MEN1MAPT
SCHEMBL27260665 0.81 GPR119 (0.48) CKS1BSKP1SKP2MEN1MAPT
SCHEMBL3595521 0.81 GPR119 (0.42) CKS1BSKP1SKP2MEN1KMT2A
SCHEMBL3590902 0.76 GPR119 (0.44) CKS1BSKP1SKP2MEN1MAPT
SCHEMBL876797 0.75 CKS1B (0.59) CKS1BSKP1SKP2MEN1MAPT
SCHEMBL14802434 0.74 MAPT (0.59) CKS1BSKP1SKP2MEN1MAPT
SCHEMBL17455072 0.74 GPR119 (0.61) CKS1BSKP1SKP2MEN1MAPT
SCHEMBL13472397 0.74 KMO (0.56) CKS1BSKP1SKP2MEN1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 CKS1B 509/4885SKP1 647/4885SKP2 810/4885

“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.