SCHEMBL2638802

SCHEMBL2638802

O=C(C[S])NCc1ccco1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
HPGD P15428 6/20 0.64
POLB P06746 5/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
HSD17B10 Q99714 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MAPT P10636 1/20 0.64
PTPN7 P35236 1/20 0.64
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
EPHX2 P34913 3/20 0.58
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 2/20 0.57
RECQL P46063 1/20 0.56
ESR2 Q92731 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL29410065 0.87 ALDH1A1 (0.74) ALDH1A1HPGDPOLBL3MBTL1HSD17B10
SCHEMBL19726938 0.86 HPGD (0.73) ALDH1A1HPGDPOLBL3MBTL1HSD17B10
SCHEMBL6289033 0.84 ALDH1A1 (0.70) ALDH1A1HPGDPOLBL3MBTL1HSD17B10
SCHEMBL9912447 0.84 ALDH1A1 (0.70) ALDH1A1HPGDPOLBL3MBTL1HSD17B10
SCHEMBL20189300 0.82 ALDH1A1 (0.68) ALDH1A1HPGDPOLBL3MBTL1HSD17B10
SCHEMBL6029533 0.82 ALDH1A1 (0.68) ALDH1A1HPGDPOLBL3MBTL1HSD17B10
SCHEMBL6070205 0.82 ALDH1A1 (0.68) ALDH1A1HPGDPOLBL3MBTL1HSD17B10
SCHEMBL14511323 0.82 ALDH1A1 (0.68) ALDH1A1HPGDPOLBL3MBTL1HSD17B10
SCHEMBL2638805 0.82 ALDH1A1 (0.68) ALDH1A1HPGDPOLBL3MBTL1HSD17B10
SCHEMBL6360360 0.82 ALDH1A1 (0.68) ALDH1A1HPGDPOLBL3MBTL1HSD17B10

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 12 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
JP-4603265-B2 2010-12-22 JP claimed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US claimed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP claimed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US claimed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 WO claimed
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP disclosed
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO 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 ALDH1A1 3345/4885HPGD 4573/4885POLB 3397/4885

“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.