SCHEMBL7092726

SCHEMBL7092726

[CH2]c1cccnc1SCCC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.45
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PDE5A O76074 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL9910947 0.81 HSD11B1 (0.45) HSD11B1HPGDALDH1A1PDE5AFFAR4
SCHEMBL16334324 0.81 HSD11B1 (0.45) HSD11B1HPGDALDH1A1PDE5AFFAR4
SCHEMBL12656988 0.79 HSD11B1 (0.47) HSD11B1HPGDALDH1A1PDE5AFFAR4
SCHEMBL13990506 0.78 HSD11B1 (0.43) HSD11B1HPGDALDH1A1PDE5AFFAR4
SCHEMBL14606834 0.78 HSD11B1 (0.59) HSD11B1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15668834 0.77 HSD11B1 (0.45) HSD11B1HPGDALDH1A1PDE5AFFAR4
SCHEMBL15669044 0.77 HSD11B1 (0.42) HSD11B1HPGDALDH1A1PDE5AFFAR4
SCHEMBL6809103 0.76 CYP1A2 (0.45) HPGDALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL354086 0.75
SCHEMBL7710680 0.75 HSD11B1 (0.44) HSD11B1HPGDALDH1A1PDE5AFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof LION BIOSCIENCE AG (DE) 2003-12-18 US claimed
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof LION BIOSCIENCE AG (DE) 2003-12-18 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-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof CXCR2, BICRA, CXCR1 HSD11B1 1542/4885HPGD 3319/4885ALDH1A1 928/4885

“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.