SCHEMBL13601833

SCHEMBL13601833

CC(=O)c1ccc(-c2ccc(C)cn2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
CYP2A6 P11509 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC6 Q9UBN7 3/20 0.48
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
HDAC1 Q13547 8/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGDS O60760 1/20 0.46
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM2 P08172 1/20 0.42

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
SCHEMBL3502773 0.82 CYP3A4 (0.49) CYP3A4CYP2A6CYP2C9CYP2C19HDAC6
SCHEMBL10161950 0.80 HDAC1 (0.49) CYP3A4CYP2A6CYP2C9CYP2C19HDAC6
SCHEMBL23665366 0.76 CCR1 (0.62) CYP3A4CYP2A6CYP2C9CYP2C19HDAC6
SCHEMBL10130665 0.76 HPGDS (0.51) CYP3A4CYP2A6CYP2C9CYP2C19HDAC1
SCHEMBL13136597 0.76 JAK2 (0.44) CYP3A4CYP2A6CYP2C9CYP2C19KDM4E
SCHEMBL1356959 0.75 LMNA (0.70) CYP3A4CYP2A6CYP2C9CYP2C19HDAC6
SCHEMBL9910293 0.75 HSD17B1 (0.61) CYP3A4CYP2A6CYP2C9CYP2C19HDAC6
SCHEMBL9374034 0.75 KDM4E (0.73) CYP3A4CYP2A6CYP2C9CYP2C19HDAC6
SCHEMBL1575023 0.74 LMNA (0.59) CYP3A4CYP2A6CYP2C9CYP2C19HDAC6
SCHEMBL12569052 0.73 LMNA (0.68) CYP3A4CYP2A6CYP2C9CYP2C19HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (2 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-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 CYP3A4 13/4885CYP2A6 11/4885CYP2C9 1/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 CYP3A4 24/4885CYP2A6 22/4885CYP2C9 11/4885

“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.