SCHEMBL12435194

SCHEMBL12435194

CC(C)(C)[C@H](NC(=O)[C@@H](NC(=O)OC1CCCC1)C1CCCCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MMP1 P03956 2/20 0.35
MMP8 P22894 1/20 0.35
ADAM17 P78536 1/20 0.35
CTSL P07711 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
MMP2 P08253 4/20 0.33
MMP3 P08254 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32

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
SCHEMBL12435214 0.88 AAK1 (0.40) MMP1MMP8ADAM17CTSLAAK1
SCHEMBL8243961 0.86 EPHX1 (0.47) EPHX1HDAC4HDAC1TSHRCYP3A4
SCHEMBL12435203 0.86 AAK1 (0.46) EPHX1HDAC4HDAC1MMP1MMP8
SCHEMBL12435213 0.86 MMP1 (0.38) MMP1MMP8ADAM17CTSLAAK1
SCHEMBL1167064 0.85 EPHX1 (0.45) EPHX1HDAC4HDAC1TSHRCYP3A4
SCHEMBL1536518 0.85 EPHX1 (0.45) EPHX1HDAC4HDAC1TSHRCYP3A4
SCHEMBL12435191 0.84 TSHR (0.39) TSHRMMP1MMP8ADAM17CTSL
SCHEMBL8250180 0.82 EPHX1 (0.41) EPHX1HDAC4HDAC1TSHRCYP3A4
SCHEMBL8251137 0.80 EPHX1 (0.53) EPHX1HDAC4HDAC1TSHRCYP3A4
SCHEMBL8250176 0.80 EPHX1 (0.53) EPHX1HDAC4HDAC1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528922-B1 POLYHETEROCYCLIC COMPOUNDS AS HCV INHIBITORS AB PHARMA LTD (CN) 2017-08-02 EP disclosed
WO-2011091757-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-08-04 WO disclosed
US-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-07-28 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-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 EPHX1 2117/4885HDAC4 1248/4885HDAC1 502/4885

“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.