SCHEMBL5522256

SCHEMBL5522256

CC(C)(C)c1nc(Cc2ccc(-c3ccccc3)cc2)c(C(=O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
COPS5 Q92905 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL5527532 0.92 SMN1; SMN2 (0.48) SMN1; SMN2GAAKDM4ERAB9AALDH1A1
SCHEMBL5520247 0.86 SRD5A2 (0.41) SMN1; SMN2GAAKDM4ERAB9AALDH1A1
SCHEMBL5528919 0.86 TRPM8 (0.55) SMN1; SMN2GAAKDM4ERAB9AALDH1A1
SCHEMBL5524260 0.85 PPARA (0.40) SMN1; SMN2GAAKDM4ERAB9AMAPT
SCHEMBL5522358 0.85 RAB9A (0.51) SMN1; SMN2GAAKDM4ERAB9AALDH1A1
SCHEMBL5528335 0.85 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1PTGDR2
SCHEMBL5522346 0.83 PLA2G10 (0.44) SMN1; SMN2GAAKDM4ERAB9AALDH1A1
SCHEMBL5528465 0.82 EPHX2 (0.45) SMN1; SMN2RAB9AALDH1A1MAPTHPGD
SCHEMBL5527684 0.81 SMN1; SMN2 (0.43) SMN1; SMN2GAAKDM4ERAB9AALDH1A1
SCHEMBL5527717 0.81 TSHR (0.47) SMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 SMN1; SMN2 4646/4885GAA 351/4885KDM4E 676/4885

“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.