SCHEMBL5287421

SCHEMBL5287421

O=C(Cc1ccccc1Sc1ccccc1)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.49
▸ MMP9 P14780 4/20 0.49
▸ MMP12 P39900 4/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MMP14 P50281 1/20 0.43
▸ CYP2D6 P10635 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CHRNA7 P36544 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SIRT1 Q96EB6 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
SCHEMBL31225690 0.77 TAAR1 (0.45) HPGDSMN1; SMN2LMNAMAPK1L3MBTL1
SCHEMBL3045866 0.77 LMNA (0.45) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL5286051 0.76 SMN1; SMN2 (0.53) HPGDSMN1; SMN2L3MBTL1ALDH1A1KMT2A
SCHEMBL31225781 0.76 AKR1B1 (0.52) SMN1; SMN2CYP2D6L3MBTL1ATM
SCHEMBL3765157 0.75 HPGD (0.78) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL6937307 0.74 SMN1; SMN2 (0.67) HPGDSMN1; SMN2MAPK1L3MBTL1ALDH1A1
SCHEMBL3640100 0.72 CYP2C9 (0.72) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL10964197 0.71 ALDH1A1 (0.39) HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6932450 0.71 MMP2 (0.54) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL5283083 0.71 HTR1A (0.48) HPGDSMN1; SMN2LMNAMAPK1L3MBTL1

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 — — WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 — — 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 MMP2 1558/4885MMP9 2358/4885MMP12 1035/4885

“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.

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