SCHEMBL6029959

SCHEMBL6029959

O=S(=O)(NCCS)c1ccc(-c2ccccn2)s1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.57
CAPN1 P07384 8/20 0.53
PFKFB3 Q16875 1/20 0.52
KDM4E B2RXH2 2/20 0.50
PKM P14618 2/20 0.50
MAP3K5 Q99683 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 1/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
CNKSR1 Q969H4 2/20 0.45

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
SCHEMBL6029956 0.88 RXFP1 (0.53) RXFP1CAPN1PFKFB3KDM4EPKM
SCHEMBL13892314 0.84 RXFP1 (0.55) RXFP1CAPN1PFKFB3KDM4EPKM
SCHEMBL14387542 0.84 CAPN1 (0.50) RXFP1CAPN1PFKFB3KDM4EPKM
SCHEMBL14355785 0.81 CAPN1 (0.52) RXFP1CAPN1PFKFB3KDM4EPKM
SCHEMBL27180797 0.81 RXFP1 (0.55) RXFP1CAPN1PFKFB3KDM4EPKM
SCHEMBL29989250 0.81 PFKFB3 (0.59) RXFP1CAPN1PFKFB3KDM4EPKM
SCHEMBL12085539 0.80 MAP3K5 (0.48) RXFP1CAPN1PFKFB3KDM4EPKM
SCHEMBL2835960 0.80 PFKFB3 (0.60) RXFP1CAPN1PFKFB3KDM4EPKM
SCHEMBL8213512 0.80 RXFP1 (0.59) RXFP1CAPN1PFKFB3KDM4EPKM
SCHEMBL6326184 0.79 PFKFB3 (0.54) RXFP1CAPN1PFKFB3KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP claimed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US claimed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US claimed
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP disclosed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US disclosed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP disclosed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US disclosed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 WO 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-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A RXFP1 498/4885CAPN1 1735/4885PFKFB3 3248/4885

“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.