SCHEMBL20869728

SCHEMBL20869728

CC[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.63
POLB P06746 2/20 0.63
PSEN1 P49768 1/20 0.59
PSEN2 P49810 1/20 0.59
APH1B Q8WW43 1/20 0.59
NCSTN Q92542 1/20 0.59
APH1A Q96BI3 1/20 0.59
PSENEN Q9NZ42 1/20 0.59
HCRTR1 O43613 1/20 0.57
HCRTR2 O43614 1/20 0.57
TSHR P16473 2/20 0.56
TP53 P04637 1/20 0.56
MCOLN3 Q8TDD5 4/20 0.54
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 1/20 0.53
CCR4 P51679 3/20 0.52
HPGD P15428 1/20 0.50

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
SCHEMBL16210903 0.84 POLB (0.65) PKMPOLBPSEN1PSEN2APH1B
SCHEMBL31107095 0.82 CASP3 (0.66) HCRTR1HCRTR2TSHRMCOLN3LMNA
SCHEMBL10870111 0.80 MCOLN3 (0.54) PKMHCRTR1HCRTR2TSHRMCOLN3
SCHEMBL3456984 0.80 MCOLN3 (0.56) PKMHCRTR1HCRTR2TSHRMCOLN3
SCHEMBL19000604 0.79 PSEN1 (0.70) PKMPOLBPSEN1PSEN2APH1B
SCHEMBL9893151 0.79 PSEN1 (0.70) PKMPOLBPSEN1PSEN2APH1B
SCHEMBL12169293 0.79 PSEN1 (0.70) PKMPOLBPSEN1PSEN2APH1B
SCHEMBL8318861 0.79 HCRTR1 (0.67) HCRTR1HCRTR2TSHRMCOLN3LMNA
SCHEMBL14132587 0.78 PSEN1 (0.69) PKMPOLBPSEN1PSEN2APH1B
SCHEMBL9893067 0.78 PSEN1 (0.92) PKMPOLBPSEN1PSEN2APH1B

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-20190099453-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2019-04-04 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-20190099453-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE PYGL, HNF4A, ATF1 PKM 248/4885POLB 3588/4885PSEN1 4744/4885

“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.