SCHEMBL20032397

SCHEMBL20032397

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
DRD2 P14416 2/20 0.41
LOXL2 Q9Y4K0 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
LOX P28300 1/20 0.39
ADRA1D P25100 1/20 0.39
KCNA5 P22460 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNK3 O14649 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KCNQ3 O43525 1/20 0.37

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
SCHEMBL20372757 0.90 CCR5 (0.41) CCR5ALDH1A1GAACYP3A4CYP2D6
SCHEMBL17367964 0.86 DRD2 (0.42) CCR5ALDH1A1GAACYP3A4CYP2D6
SCHEMBL10180313 0.85 HDAC4 (0.53) ALDH1A1GAACYP3A4CYP2D6SLC6A2
SCHEMBL18713459 0.85 PSIP1 (0.50) CCR5ALDH1A1GAACYP3A4CYP2D6
SCHEMBL20032423 0.84 CA2 (0.55) CCR5
SCHEMBL19003482 0.83 GRM2 (0.41) ALDH1A1GAACYP3A4CYP2D6SLC6A2
SCHEMBL3465400 0.82 ALDH1A1 (0.42) ALDH1A1GAACYP3A4CYP2D6SLC6A2
SCHEMBL20032399 0.81 CCR5 (0.53) CCR5ALDH1A1DRD2LOX
SCHEMBL18713574 0.81 CCR5 (0.42) CCR5CYP3A4CYP2D6
SCHEMBL20032309 0.81 TNNI3K (0.45) CCR5GAAHDAC4HDAC2HDAC8

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 7 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-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 (7 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 408/4885ALDH1A1 433/4885GAA 3244/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CCR5 408/4885ALDH1A1 433/4885GAA 3244/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CCR5 408/4885ALDH1A1 433/4885GAA 3244/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CCR5 408/4885ALDH1A1 433/4885GAA 3244/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CCR5 408/4885ALDH1A1 433/4885GAA 3244/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CCR5 408/4885ALDH1A1 433/4885GAA 3244/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CCR5 408/4885ALDH1A1 433/4885GAA 3244/4885

“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.