SCHEMBL20032477

SCHEMBL20032477

CCCC(CC)c1ccc(Cl)cc1-c1cccc(S(=O)(=O)CC)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
RORC P51449 5/20 0.41
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1I2 O75469 1/20 0.36
HSD11B1 P28845 1/20 0.36
PTGES2 Q9H7Z7 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
SCHEMBL21164534 0.93 BRD4 (0.44) BRD4RORCPTGDR2NR1H2NR1H3
SCHEMBL21164609 0.91 PSEN1 (0.35) BRD4RORCPSEN1PSEN2APH1B
SCHEMBL21366949 0.87 ALDH1A1 (0.43) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL18713626 0.87 PTGDR2 (0.40) BRD4RORCPTGDR2CYP1A2CYP3A4
SCHEMBL20032460 0.85 RORC (0.36) BRD4RORCPTGDR2PTGES2
SCHEMBL18713628 0.84 BRD4 (0.43) BRD4RORCPTGDR2NR1H2NR1H3
SCHEMBL20032444 0.83 RORC (0.41) RORCPTGES2
SCHEMBL18713724 0.81 CA1 (0.46) BRD4PTGES2
SCHEMBL20032433 0.81 PTGDR2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20032368 0.80 ALDH1A1 (0.38) BRD4CYP1A2CYP3A4

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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A BRD4 2241/4885RORC 300/4885PSEN1 2972/4885

“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.