SCHEMBL8920357

SCHEMBL8920357

CCC(C)C(=O)[C@@](C)(O)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
KCNN4 O15554 5/20 0.37
ALDH1A1 P00352 3/20 0.36
RIPK1 Q13546 2/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
POLB P06746 2/20 0.35
MAPK1 P28482 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.34
KCNE1 P15382 1/20 0.34

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
SCHEMBL12175054 1.00 CYP2C19 (0.38) CYP2C19CYP2D6CYP2C9TSHRKCNN4
SCHEMBL19578179 0.83 KCNN4 (0.41) KCNN4ALDH1A1RIPK1PDK1PDK2
SCHEMBL888782 0.83 KCNN4 (0.41) KCNN4ALDH1A1RIPK1PDK1PDK2
SCHEMBL19578315 0.77 KCNN4 (0.41) CYP2C19CYP2D6CYP2C9TSHRKCNN4
SCHEMBL8915396 0.77 KCNN4 (0.41) CYP2C19CYP2D6CYP2C9TSHRKCNN4
SCHEMBL1822203 0.74 KCNN4 (0.49) CYP2C19CYP2C9KCNN4ALDH1A1PDK1
SCHEMBL10077236 0.74 KCNN4 (0.44) KCNN4ALDH1A1RIPK1PDK1PDK2
SCHEMBL31355016 0.73 PIN1 (0.47) CYP2C19TSHRKCNN4ALDH1A1POLB
SCHEMBL8906107 0.73 KCNN4 (0.43) KCNN4ALDH1A1RIPK1PDK1PDK2
SCHEMBL12281394 0.71 KCNN4 (0.42) KCNN4ALDH1A1RIPK1PDK1PDK2

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
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 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 (3 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-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2C19 3369/4885CYP2D6 1861/4885CYP2C9 2585/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP2C19 431/4885CYP2D6 639/4885CYP2C9 313/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CYP2C19 392/4885CYP2D6 478/4885CYP2C9 412/4885

“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.