SCHEMBL20032399

SCHEMBL20032399

CCC(CC)c1cccc(S(=O)(=O)N(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
TNF P01375 1/20 0.51
NOD1 Q9Y239 1/20 0.51
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 2/20 0.43
LOX P28300 1/20 0.43
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL18713459 0.81 PSIP1 (0.50) CCR5ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL10176298 0.81 RAB9A (0.51) RAB9ANPC1TNFNOD1MEN1
SCHEMBL20032397 0.81 CCR5 (0.45) CCR5ALDH1A1LOXDRD2
SCHEMBL22971473 0.81 RAB9A (0.49) CCR5RAB9ANPC1TNFNOD1
SCHEMBL20032423 0.79 CA2 (0.55) CCR5
SCHEMBL18426447 0.79 CCR5 (0.54) CCR5ALDH1A1SMN1; SMN2LOXMAPT
SCHEMBL23554550 0.78 MEN1 (0.52) RAB9ANPC1TNFNOD1MEN1
SCHEMBL12052267 0.78 MEN1 (0.49) RAB9ANPC1TNFNOD1MEN1
SCHEMBL12052157 0.78 MEN1 (0.49) RAB9ANPC1TNFNOD1MEN1
SCHEMBL7163455 0.78 RAB9A (0.63) RAB9ANPC1TNFNOD1MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 US disclosed
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 US disclosed
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 US disclosed
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 (8 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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CCR5 408/4885RAB9A 2533/4885NPC1 2072/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CCR5 408/4885RAB9A 2533/4885NPC1 2072/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CCR5 408/4885RAB9A 2533/4885NPC1 2072/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CCR5 408/4885RAB9A 2533/4885NPC1 2072/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CCR5 408/4885RAB9A 2533/4885NPC1 2072/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CCR5 408/4885RAB9A 2533/4885NPC1 2072/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CCR5 408/4885RAB9A 2533/4885NPC1 2072/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CCR5 408/4885RAB9A 2533/4885NPC1 2072/4885

“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.