SCHEMBL15913637

SCHEMBL15913637

COC(=O)C1CCC(C(N)CSc2cccs2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.36
FCER2 P06734 3/20 0.36
PTGER1 P34995 1/20 0.35
PTGFR P43088 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 3/20 0.34
PKN2 Q16513 3/20 0.34
RPS6KA5 O75582 2/20 0.34
LRRK2 Q5S007 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 2/20 0.34
CYP3A4 P08684 2/20 0.34
CHUK O15111 1/20 0.34
PRKD3 O94806 1/20 0.34
CDK1 P06493 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
SCHEMBL620366 0.75 ALDH1A1 (0.38) KMT2APOLBNPC1RAB9AKCNH2
SCHEMBL620367 0.75 ALDH1A1 (0.38) KMT2APOLBNPC1RAB9AKCNH2
SCHEMBL31067200 0.69 GAA (0.41) POLBTP53HTTSMN1; SMN2IDO1
Hydrochloric Acid SCHEMBL31067225 0.68 GAA (0.40) POLBROCK2ROCK1PKN2TP53
SCHEMBL503186 0.67 KIF11 (0.52) MMP1FCER2PTGER1PTGFRPTGER3
SCHEMBL7350753 0.67 KIF11 (0.52) MMP1FCER2PTGER1PTGFRPTGER3
SCHEMBL7247505 0.66 MAOA (0.50) MMP1FCER2PTGER1PTGFRPTGER3
SCHEMBL20393464 0.66 MMP1 (0.48) MMP1FCER2PTGER1PTGFRPTGER3
SCHEMBL6703333 0.65 KMT2A (0.53) KMT2APOLBNPC1RAB9ATP53
SCHEMBL5031561 0.65 FBP1 (0.48) MMP1FCER2PTGER1PTGFRPTGER3

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-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 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-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MMP1 4205/4885FCER2 4775/4885PTGER1 4299/4885

“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.