SCHEMBL3125764

SCHEMBL3125764

CCCCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.88
SMN1; SMN2 Q16637 3/20 0.88
MEN1 O00255 2/20 0.88
KMT2A Q03164 2/20 0.88
RAB9A P51151 1/20 0.88
MAPK10 P53779 1/20 0.88
FLT3 P36888 5/20 0.74
HPGD P15428 5/20 0.74
LMNA P02545 3/20 0.74
KDM4E B2RXH2 2/20 0.70
MAPK1 P28482 1/20 0.70
MAPT P10636 5/20 0.65
TP53 P04637 1/20 0.65
TSHR P16473 4/20 0.64
GFER P55789 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
GAA P10253 1/20 0.61
HSD17B10 Q99714 2/20 0.60

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
SCHEMBL8288697 0.99 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL8288672 0.97 ALDH1A1 (0.93) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL8288688 0.96 ALDH1A1 (0.91) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL5457782 0.96 ALDH1A1 (0.95) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL4135422 0.94 HPGD (0.83) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL5465217 0.91 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL6437345 0.88 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL24104916 0.86 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL8289669 0.86 HPGD (0.76) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL5453467 0.85 FLT3 (1.00) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696244-B2 Compounds having activity in increasing ion transport by mutant-CFTR and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-13 US disclosed
US-20070265316-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-Cftr and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-15 US disclosed
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed
WO-2004110352-A2 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-12-23 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-20070265316-A1 Compounds Having Activity in Increasing Ion Transport by Mutant-Cftr and Uses Thereof CFTR, SLC47A1, SLC47A2 ALDH1A1 1218/4885SMN1; SMN2 3371/4885MEN1 4145/4885

“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.