Sugi Predict

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SCHEMBL290900

SCHEMBL290900

O=C1c2ccccc2C(=O)N1CCOS(=O)(=O)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CASP3 P42574 2/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GLS O94925 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7900307 0.88 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2MAPTHPGDCYP1A2
SCHEMBL8688303 0.88 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2MAPTHPGDCYP1A2
SCHEMBL8690834 0.88 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2MAPTHPGDCYP1A2
SCHEMBL15432779 0.88 RAB9A (0.43) RAB9ASMN1; SMN2NPC1MAPTHPGD
SCHEMBL27917963 0.87 HEXA (0.52) RAB9ASMN1; SMN2MAPTHPGDNPSR1
Trifluoromethanesulfonic Acid SCHEMBL9091822 0.84 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2MAPTHPGDCYP1A2
SCHEMBL3766976 0.83 CA1 (0.47) RAB9ASMN1; SMN2NPC1MAPTHPGD
SCHEMBL9055931 0.82 RAB9A (0.42) RAB9ASMN1; SMN2NPC1MAPTHPGD
SCHEMBL30881294 0.80 MAPT (0.47) RAB9ASMN1; SMN2MAPTCASP3CYP1A2
SCHEMBL16997484 0.79 HPGD (0.54) RAB9ASMN1; SMN2NPC1MAPTHPGD

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737683-A1 N-2-(Phthalimido)ethyl trans-piperidine-2,5-dicarboxylates as intermediates in the preparation of perhydro-1H-pyrido[1,2-a]pyrazines PFIZER INC. (US) 1996-10-16 — — EP claimed
US-20240174635-A1 TLR 9 INHIBITORS INSILICO MEDICINE IP LIMITED (HK) 2024-05-30 — — US disclosed
US-11807622-B2 TLR 9 inhibitors INSILICO MEDICINE IP LIMITED (HK) 2023-11-07 — — US disclosed
US-11807622-B2 TLR 9 inhibitors INSILICO MEDICINE IP LIMITED (HK) 2023-11-07 — — US disclosed
CN-113710659-A TLR inhibitors 英矽智能科技知识产权有限公司 2021-11-26 — — CN disclosed
US-20210253553-A1 TLR 9 INHIBITORS INSILICO MEDICINE IP LIMITED (HK) 2021-08-19 — — US disclosed
US-11008303-B2 TLR 9 inhibitors INSILICO MEDICINE IP LIMITED (HK) 2021-05-18 — — US disclosed
US-10988457-B2 TLR inhibitors INSILICO MEDICINE IP LIMITED (HK) 2021-04-27 — — US disclosed
US-20200290994-A1 TLR 9 INHIBITORS INSILICO MEDICINE IP LIMITED (HK) 2020-09-17 — — US disclosed
US-20200290993-A1 TLR INHIBITORS Insilico Medicine, Inc. 2020-09-17 — — US disclosed
US-5326874-A Intermediate for neuroleptic pyrido(1,2-a)pyrazines PFIZER INC. (US) 1994-07-05 — — US disclosed
EP-0586376-A1 PROCESS AND INTERMEDIATE FOR CERTAIN BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS. PFIZER (US) 1994-03-16 — — EP disclosed
WO-1993025552-A1 PROCESS AND INTERMEDIATES FOR BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER INC. (US) 1993-12-23 — — WO disclosed
CN-1071167-A Perhydro--carotene 1H-pyrido [1, the 2-a] pyrazine compounds that neuroplegic 2-replaces PFIZER (US) 1993-04-21 — — CN disclosed
WO-1993006101-A1 NEUROLEPTIC 2-SUBSTITUTED PERHYDRO-1-H-PYRIDO[1,2a]PYRAZINES PFIZER INC. (US) 1993-04-01 — — WO disclosed
US-5185449-A PROCESS AND INTERMEDIATE FOR CERTAIN BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER INC. (US) 1993-02-09 — — US disclosed
US-5185449-A PROCESS AND INTERMEDIATE FOR CERTAIN BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER INC. (US) 1993-02-09 — — US disclosed
US-5157034-A Neuroleptic perhydro-1H-pyrido[1,2-a]pyrazines PFIZER INC. (US) 1992-10-20 — — US disclosed
WO-1992015575-A1 PROCESS AND INTERMEDIATE FOR CERTAIN BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER INC. (US) 1992-09-17 — — WO disclosed
WO-1992015575-A1 PROCESS AND INTERMEDIATE FOR CERTAIN BIS-AZA-BICYCLIC ANXIOLYTIC AGENTS PFIZER INC. (US) 1992-09-17 — — WO 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-11008303-B2 TLR 9 inhibitors TLR9, TLR1, TLR7 RAB9A 542/4885SMN1; SMN2 1578/4885NPC1 633/4885
US-20210253553-A1 TLR 9 INHIBITORS TLR9, TLR1, TLR7 RAB9A 540/4885SMN1; SMN2 1775/4885NPC1 756/4885
US-20200290994-A1 TLR 9 INHIBITORS TLR9, TLR1, TLR7 RAB9A 542/4885SMN1; SMN2 1578/4885NPC1 633/4885
US-11807622-B2 TLR 9 inhibitors TLR9, TLR1, TLR7 RAB9A 540/4885SMN1; SMN2 1775/4885NPC1 756/4885
US-10988457-B2 TLR inhibitors TLR7, TLR8, TLR1 RAB9A 1261/4885SMN1; SMN2 1911/4885NPC1 535/4885
US-20240174635-A1 TLR 9 INHIBITORS TLR9, TLR1, TLR7 RAB9A 540/4885SMN1; SMN2 1775/4885NPC1 756/4885
US-20200290993-A1 TLR INHIBITORS TLR7, TLR8, TLR1 RAB9A 1261/4885SMN1; SMN2 1911/4885NPC1 535/4885

“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.