SCHEMBL22019554

SCHEMBL22019554

CN1CCSC[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.48
PREP P48147 2/20 0.44
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.41
HTR2C P28335 1/20 0.41
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41

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
SCHEMBL28642808 0.83 PREP (0.53) FKBP1APREPNPC1RAB9ASMN1; SMN2
SCHEMBL8475310 0.82 FKBP1A (0.56) FKBP1APREPALDH1A1NPC1RAB9A
SCHEMBL26291061 0.80 FKBP1A (0.60) FKBP1APREPTSHR
SCHEMBL13099455 0.80 FKBP1A (0.60) FKBP1APREPTSHR
SCHEMBL12869918 0.80 FKBP1A (0.60) FKBP1APREPTSHR
SCHEMBL24710613 0.77 FKBP1A (0.65) FKBP1A
SCHEMBL11311747 0.76 PREP (0.54) PREPNPC1RAB9ASMN1; SMN2
SCHEMBL29072821 0.76 HTR2C (0.50) FKBP1AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25590373 0.76 PREP (0.47) FKBP1APREPALDH1A1TSHR
SCHEMBL8923967 0.74 POLB (0.49) FKBP1AALDH1A1TSHRHTR2CFABP7

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-20200157085-A1 MODULATORS OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2020-05-21 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-20200157085-A1 MODULATORS OF HEMOGLOBIN HBG1, HBG2, HBB FKBP1A 1300/4885PREP 840/4885ALDH1A1 3168/4885

“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.