SCHEMBL5451857

SCHEMBL5451857

COc1cccc(SCc2cc(C(=O)O)no2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.54
LMNA P02545 4/20 0.52
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MTNR1A P48039 4/20 0.47
MTNR1B P49286 4/20 0.47
MAPT P10636 2/20 0.45
RECQL P46063 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
EDNRA P25101 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 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
SCHEMBL5456148 0.87 ALDH1A1 (0.53) ALDH1A1HPGDLMNACYP3A4CYP2D6
SCHEMBL5445324 0.86 ALDH1A1 (0.55) ALDH1A1HPGDLMNACYP2C9CYP2C19
SCHEMBL5460248 0.81 L3MBTL1 (0.61) ALDH1A1LMNACYP2C9CYP2C19MAPT
SCHEMBL11099405 0.78 ALDH1A1 (0.58) ALDH1A1HPGDLMNAMAPTRECQL
Hydrochloric Acid SCHEMBL11100107 0.77 ALDH1A1 (0.56) ALDH1A1HPGDLMNAMAPTRECQL
SCHEMBL17288356 0.77 ALDH1A1 (0.56) ALDH1A1HPGDLMNAMTNR1AMTNR1B
SCHEMBL5461144 0.76 MEN1 (0.54) ALDH1A1LMNACYP2C9CYP2C19MAPT
SCHEMBL15931931 0.75 ALDH1A1 (0.54) ALDH1A1HPGDLMNAMAPTRECQL
SCHEMBL5449783 0.73 DAO (0.48) ALDH1A1HPGDLMNACYP3A4CYP2C9
SCHEMBL5458534 0.73 MEN1 (0.60) ALDH1A1HPGDLMNACYP3A4CYP2C9

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
US-20070043062-A1 Isoxazoles as peptide deformylase inhibitors ARPIDA A/S (DK) 2007-02-22 US claimed
EP-1664000-A1 ISOXAZOLES AS PEPTIDE DEFORMYLASE INHIBITORS Arpida A/S (DK) 2006-06-07 EP claimed
WO-2005026133-A1 ISOXAZOLES AS PEPTIDE DEFORMYLASE INHIBITORS ARPIDA A/S (DK) 2005-03-24 WO claimed
US-20070043062-A1 Isoxazoles as peptide deformylase inhibitors ARPIDA A/S (DK) 2007-02-22 US disclosed
US-20070043062-A1 Isoxazoles as peptide deformylase inhibitors ARPIDA A/S (DK) 2007-02-22 US disclosed
US-20070043062-A1 Isoxazoles as peptide deformylase inhibitors ARPIDA A/S (DK) 2007-02-22 US disclosed
EP-1664000-A1 ISOXAZOLES AS PEPTIDE DEFORMYLASE INHIBITORS Arpida A/S (DK) 2006-06-07 EP disclosed
WO-2005026133-A1 ISOXAZOLES AS PEPTIDE DEFORMYLASE INHIBITORS ARPIDA A/S (DK) 2005-03-24 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-20070043062-A1 Isoxazoles as peptide deformylase inhibitors PDF, MRPL21, PEPD ALDH1A1 1786/4885HPGD 724/4885LMNA 2510/4885

“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.