Sugi Predict

Sugi Predict / Compounds / SCHEMBL21164385

SCHEMBL21164385

SCHEMBL21164385

C/C=C/c1ccc(C(CC)CC)c(-c2cccc(S(C)(=O)=O)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ JAK2 O60674 1/20 0.34
▸ NR1H2 P55055 5/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ NR1H3 Q13133 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HSP90AA1 P07900 2/20 0.33
▸ HSP90B1 P14625 1/20 0.33
▸ TRAP1 Q12931 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ DYRK1B Q9Y463 2/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK9 P50750 1/20 0.33

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
SCHEMBL20032127 0.93 LOXL2 (0.34) LOXL2JAK2NR1H2BRD4CTSS
SCHEMBL20032430 0.91 LOXL2 (0.36) LOXL2JAK2NR1H2BRD4CTSS
SCHEMBL18713371 0.82 LOXL2 (0.36) LOXL2JAK2NR1H2BRD4CTSS
SCHEMBL20032444 0.80 RORC (0.41) LOXL2JAK2CTSSCTSK
SCHEMBL16573988 0.80 LRRK2 (0.39) LOXL2JAK2NR1H2BRD4NR1H3
SCHEMBL18713180 0.80 BRD4 (0.46) LOXL2JAK2NR1H2BRD4CTSS
SCHEMBL20032129 0.79 CTSS (0.43) LOXL2JAK2NR1H2BRD4CTSS
SCHEMBL22276698 0.78 CNR2 (0.38) CNR2DYRK1BDYRK3CCNT1CCNA2
SCHEMBL16573993 0.77 LRRK2 (0.46) LOXL2JAK2NR1H2BRD4NR1H3
SCHEMBL20032336 0.77 PTGS2 (0.44) LOXL2NR1H2CTSSCTSKNR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 LOXL2 1549/4885JAK2 995/4885NR1H2 119/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A LOXL2 1549/4885JAK2 995/4885NR1H2 119/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A LOXL2 1549/4885JAK2 995/4885NR1H2 119/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A LOXL2 1549/4885JAK2 995/4885NR1H2 119/4885

“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.