Sugi Predict

Sugi Predict / Compounds / SCHEMBL19040394

SCHEMBL19040394

SCHEMBL19040394

Cc1cnc(OC[C@@H](C)O)c(SCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.41
▸ SCN9A Q15858 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ DAO P14920 1/20 0.35
▸ HTT P42858 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ PPARG P37231 2/20 0.35
▸ NCOA2 Q15596 2/20 0.35
▸ NCOA1 Q15788 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ CXCR2 P25025 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CA12 O43570 1/20 0.34

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
SCHEMBL19040395 0.84 ADORA3 (0.37) LMNAALDH1A1DAOHTTSMN1; SMN2
SCHEMBL18600991 0.83 MRGPRX4 (0.38) LMNAALDH1A1DAOSMN1; SMN2HPGD
SCHEMBL18600989 0.83 MRGPRX4 (0.38) LMNAALDH1A1DAOSMN1; SMN2HPGD
SCHEMBL19040354 0.83 NR2E3 (0.41) LMNASCN9AALDH1A1HTTSMN1; SMN2
SCHEMBL19040384 0.82 ALDH1A1 (0.39) LMNASCN9AALDH1A1HTTSMN1; SMN2
SCHEMBL19040396 0.81 CA12 (0.33) LMNASCN9AALDH1A1HTTSMN1; SMN2
SCHEMBL19040383 0.77 ALDH1A1 (0.39) LMNAALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL26693778 0.76 MEN1 (0.40) LMNASCN9AALDH1A1HTTSMN1; SMN2
SCHEMBL29837768 0.76 MEN1 (0.40) LMNASCN9AALDH1A1HTTSMN1; SMN2
SCHEMBL25227297 0.75 SCN9A (0.50) LMNASCN9AALDH1A1HTTSMN1; SMN2

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-20180208587-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2018-07-26 — — US disclosed
US-9896441-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2018-02-20 — — US disclosed
US-20170183331-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-06-29 — — 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-20170183331-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORA, RORB, RORC LMNA 4270/4885SCN9A 1753/4885ALDH1A1 602/4885
US-20180208587-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORA, RORB, RORC LMNA 4270/4885SCN9A 1753/4885ALDH1A1 602/4885

“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.