SCHEMBL18713698

SCHEMBL18713698

CCC(CC)c1ccc(Cl)cc1-c1cccc(S(=O)(=O)N(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 4/20 0.41
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
TNF P01375 1/20 0.40
NOD1 Q9Y239 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
RORC P51449 1/20 0.39

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
SCHEMBL21366949 0.93 ALDH1A1 (0.43) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL21164534 0.86 BRD4 (0.44) RORCPTGDR2
SCHEMBL20032444 0.86 RORC (0.41) LOXL2RORC
SCHEMBL18713724 0.85 CA1 (0.46) MAPTMEN1KMT2A
SCHEMBL18713626 0.83 PTGDR2 (0.40) RORCPTGDR2
SCHEMBL18713581 0.83 LMNA (0.44) ALDH1A1LMNA
SCHEMBL20032460 0.81 RORC (0.36) RORCPTGDR2
SCHEMBL21164536 0.80 DHFR (0.39) ALDH1A1MEN1KMT2A
SCHEMBL20032477 0.80 BRD4 (0.41) RORCPTGDR2
SCHEMBL16574194 0.79 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ENPC1RAB9A

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 3 patents. 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
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 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 (2 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 ALDH1A1 433/4885HPGD 140/4885KDM4E 2437/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A ALDH1A1 433/4885HPGD 140/4885KDM4E 2437/4885

“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.