Sugi Predict

Sugi Predict / Compounds / SCHEMBL22014331

SCHEMBL22014331

SCHEMBL22014331

O=C(C[C@H](c1ccccc1)S(=O)(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ SRC P12931 1/20 0.52
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ PDPK1 O15530 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL22014067 1.00 TSHR (0.56) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6677049 1.00 TSHR (0.56) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6673825 0.98 TSHR (0.55) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10033957 0.90 ALDH1A1 (0.53) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6677047 0.89 NPC1 (0.63) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6674853 0.89 ALDH1A1 (0.52) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10033931 0.89 KMT2A (0.54) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6674938 0.89 RAB9A (0.56) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6675046 0.89 PDPK1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL6676227 0.89 KMT2A (0.50) TSHRALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234546-A2 IMPROVED SYNTHESIS OF KEY INTERMEDIATE OF KRAS G12C INHIBITOR COMPOUND Amgen Inc. (US) 2023-08-30 — — EP disclosed
EP-3880670-B1 IMPROVED SYNTHESIS OF KEY INTERMEDIATE OF KRAS G12C INHIBITOR COMPOUND AMGEN INC (US) 2023-06-07 — — EP disclosed
US-20220220112-A1 SYNTHESIS OF KEY INTERMEDIATE OF KRAS G12C INHIBITOR COMPOUND AMGEN INC. 2022-07-14 — — US disclosed
US-11299491-B2 Synthesis of key intermediate of KRAS G12C inhibitor compound AMGEN INC. (US) 2022-04-12 — — US disclosed
US-20200216446-A1 SYNTHESIS OF KEY INTERMEDIATE OF KRAS G12C INHIBITOR COMPOUND AMGEN INC. 2020-07-09 — — US disclosed
WO-2020102730-A1 IMPROVED SYNTHESIS OF KEY INTERMEDIATE OF KRAS G12C INHIBITOR COMPOUND AMGEN INC. (US) 2020-05-22 — — 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 (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-11299491-B2 Synthesis of key intermediate of KRAS G12C inhibitor compound KRAS, NRAS, HRAS TSHR 4245/4885ALDH1A1 3493/4885SMN1; SMN2 3898/4885
US-20200216446-A1 SYNTHESIS OF KEY INTERMEDIATE OF KRAS G12C INHIBITOR COMPOUND KRAS, NRAS, HRAS TSHR 4245/4885ALDH1A1 3493/4885SMN1; SMN2 3898/4885
US-20220220112-A1 SYNTHESIS OF KEY INTERMEDIATE OF KRAS G12C INHIBITOR COMPOUND KRAS, NRAS, HRAS TSHR 4245/4885ALDH1A1 3493/4885SMN1; SMN2 3898/4885

“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.