SCHEMBL21164609

SCHEMBL21164609

CCCCS(=O)(=O)c1cccc(-c2cc(Cl)ccc2C(CC)CCC)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.35
PSEN2 P49810 4/20 0.35
APH1B Q8WW43 4/20 0.35
NCSTN Q92542 4/20 0.35
APH1A Q96BI3 4/20 0.35
PSENEN Q9NZ42 4/20 0.35
RORC P51449 2/20 0.34
BRD4 O60885 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
PTGES2 Q9H7Z7 2/20 0.33
CMA1 P23946 1/20 0.31

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
SCHEMBL20032460 0.94 RORC (0.36) RORCBRD4PTGDR2PTGES2CMA1
SCHEMBL20032477 0.91 BRD4 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18713626 0.88 PTGDR2 (0.40) RORCBRD4PTGDR2PTGES2CMA1
SCHEMBL18713627 0.87 PTGES2 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21164534 0.84 BRD4 (0.44) RORCBRD4PTGDR2PTGES2
SCHEMBL21366949 0.83 ALDH1A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16573995 0.80 PKM (0.39) RORCBRD4PTGDR2PTGES2
SCHEMBL20032444 0.79 RORC (0.41) RORCPTGES2
SCHEMBL18713724 0.78 CA1 (0.46) BRD4PTGES2
SCHEMBL20032433 0.77 PTGDR2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A

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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PSEN1 2972/4885PSEN2 4255/4885APH1B 2805/4885

“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.