SCHEMBL173170

SCHEMBL173170

COC(C)CCCN(C(=O)C1CCC(C)CC1)c1cc(-c2ccccc2)sc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ATM Q13315 1/20 0.39
CYP2E1 P05181 1/20 0.39
USP30 Q70CQ3 1/20 0.35
NR1I2 O75469 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL12447307 0.90 CYP2E1 (0.40) HTTKDM4EATMCYP2E1USP30
SCHEMBL173159 0.90 CYP2E1 (0.40) HTTKDM4EATMCYP2E1USP30
SCHEMBL6627149 0.89 KDM4E (0.41) HTTKDM4EATMCYP2E1USP30
SCHEMBL13758863 0.84 CYP2E1 (0.36) CYP2E1NR1I2
SCHEMBL12447260 0.84 CYP2E1 (0.45) CYP2E1NR1I2
SCHEMBL2620425 0.83 CYP2E1 (0.39) CYP2E1NR1I2
SCHEMBL2619531 0.82 CYP2E1 (0.35) HTTCYP2E1NR1I2MEN1ALDH1A1
SCHEMBL12446673 0.82 CYP2E1 (0.37) HTTKDM4EATMCYP2E1USP30
SCHEMBL2623101 0.82 CYP2E1 (0.35) CYP2E1NR1I2
SCHEMBL14214808 0.82 CYP2E1 (0.42) HTTKDM4EATMCYP2E1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8269014-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-09-18 US disclosed
US-20120059170-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals ( Canada) Incorporated (CA) 2012-03-08 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-20120059170-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS TTR, ZC3HAV1, IRF3 HTT 1666/4885KDM4E 1474/4885ATM 3665/4885

“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.