Sugi Predict

Sugi Predict / Compounds / SCHEMBL19601648

SCHEMBL19601648

SCHEMBL19601648

CC(C)Cc1cccc2c1N(S(C)(=O)=O)CCC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CES1 P23141 2/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ GABRA1 P14867 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ NLRP3 Q96P20 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL19603146 0.86 RAB9A (0.41) RAB9AALDH1A1KDM4EHPGDHTT
SCHEMBL19608834 0.82 NLRP3 (0.41) RAB9AALDH1A1KDM4EHPGDHTT
SCHEMBL19601639 0.79 PIK3CD (0.42) ALDH1A1KDM4ECES1KMT2AMEN1
SCHEMBL19601652 0.77 GABRA1 (0.40) ALDH1A1HTTCES1KMT2AMEN1
SCHEMBL14591325 0.77 ALOX12 (0.56) RAB9AALDH1A1KDM4EHPGDHTT
SCHEMBL19601646 0.76 HRH3 (0.47) ALDH1A1CES1KMT2AMEN1ALOX12
SCHEMBL19601653 0.76 NOTUM (0.51) ALDH1A1KMT2AMEN1GABRA1GABRB2
SCHEMBL30833729 0.76 CES1 (0.45) RAB9AALDH1A1KDM4EHPGDHTT
SCHEMBL29190645 0.76 CES1 (0.45) RAB9AALDH1A1KDM4EHPGDHTT
SCHEMBL19601640 0.74 HTR2C (0.40) ALDH1A1HTTCES1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781211-B2 Spirocycle compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-09-22 — — US disclosed
US-10030020-B2 Spirocycle compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-07-24 — — US disclosed
US-10030020-B2 Spirocycle compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-07-24 — — US disclosed
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-11-16 — — US disclosed
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-11-16 — — 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 (3 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-10781211-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 RAB9A 952/4885ALDH1A1 932/4885KDM4E 2798/4885
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, ACSL6 RAB9A 952/4885ALDH1A1 932/4885KDM4E 2798/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 RAB9A 952/4885ALDH1A1 932/4885KDM4E 2798/4885

“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.