SCHEMBL6029787

SCHEMBL6029787

O=C(C[S])NCc1ncc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.51
TAAR1 Q96RJ0 2/20 0.44
NTRK1 P04629 1/20 0.44
TBXAS1 P24557 2/20 0.41
KLK1 P06870 1/20 0.39
KLK5 Q9Y337 1/20 0.39
FDPS P14324 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
SLC40A1 Q9NP59 1/20 0.38
ROCK2 O75116 1/20 0.38
TERT O14746 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL6030469 0.83 FPR2 (0.51) FPR2TAAR1NTRK1TBXAS1KLK1
SCHEMBL4141453 0.83 FPR2 (0.51) FPR2TAAR1NTRK1TBXAS1KLK1
SCHEMBL29145873 0.83 FPR2 (0.51) FPR2TAAR1NTRK1TBXAS1KLK1
SCHEMBL6029789 0.83 FPR2 (0.51) FPR2TAAR1NTRK1TBXAS1KLK1
SCHEMBL6451096 0.80 FPR2 (0.55) FPR2TAAR1NTRK1TBXAS1KLK1
SCHEMBL5249241 0.80 FPR2 (0.52) FPR2TAAR1NTRK1TBXAS1KLK1
SCHEMBL14387401 0.79 FPR2 (0.48) FPR2TAAR1NTRK1TBXAS1KLK1
SCHEMBL1258259 0.79 FPR2 (0.54) FPR2TAAR1NTRK1TBXAS1KLK1
SCHEMBL14612333 0.79 FPR2 (0.54) FPR2TAAR1NTRK1TBXAS1KLK1
SCHEMBL5630310 0.79 FPR2 (0.54) FPR2TAAR1NTRK1TBXAS1KLK1

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 6 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
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 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-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A FPR2 497/4885TAAR1 4618/4885NTRK1 4681/4885

“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.