SCHEMBL4910600

SCHEMBL4910600

Cc1ccc(S(=O)(=O)OCc2ccc(-c3nc4ccccc4s3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
ALDH1A1 P00352 5/20 0.53
NPC1 O15118 4/20 0.53
HPGD P15428 4/20 0.53
KDM4E B2RXH2 6/20 0.51
TDP1 Q9NUW8 1/20 0.51
TP53 P04637 1/20 0.50
MGLL Q99685 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 4/20 0.49
GLA P06280 3/20 0.49
GAA P10253 3/20 0.49
LMNA P02545 2/20 0.49
RORC P51449 1/20 0.47
APP P05067 4/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL4901005 0.83 TP53 (0.60) RAB9AALDH1A1NPC1HPGDKDM4E
SCHEMBL10064823 0.81 MGLL (0.56) RAB9AALDH1A1NPC1HPGDKDM4E
SCHEMBL1105447 0.79 APP (0.69) RAB9AALDH1A1NPC1HPGDKDM4E
SCHEMBL6859827 0.76 CA2 (0.63) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL8052920 0.76 CA2 (0.63) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL3679894 0.76 ALDH1A1 (0.78) RAB9AALDH1A1NPC1HPGDKDM4E
SCHEMBL4913678 0.76 PTPN1 (0.60) ALDH1A1NPC1HPGDKDM4ETP53
2-Phenylbenzo[D]Thiazole SCHEMBL2878009 0.76 ALDH1A1 (0.54) RAB9AALDH1A1NPC1HPGDKDM4E
SCHEMBL2890 0.75 CA9 (0.53) ALDH1A1SMN1; SMN2PKMMAPTGAA
Toluene SCHEMBL9257721 0.74 CA9 (0.51) ALDH1A1SMN1; SMN2PKMMAPTGAA

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-20080299041-A1 HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-12-04 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-20080299041-A1 HETEROCYCLIC INDENE DERIVATIVES AND THEIR RADIOISOTOPE LABELED COMPOUNDS FOR IMAGING BETA-AMYLOID DEPOSITION APP, BACE1, PSEN1 RAB9A 2635/4885ALDH1A1 2700/4885NPC1 41/4885

“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.