Sugi Predict

Sugi Predict / Compounds / SCHEMBL948952

SCHEMBL948952

SCHEMBL948952

CC(C)(C)OC(=O)CNCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ CA12 O43570 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ CTSK P43235 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
Hydrochloric Acid SCHEMBL10493771 0.98 NPC1 (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4541517 0.97 NPC1 (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7138314 0.91 POLB (0.54) NPC1RAB9AKMT2APOLBDRD2
SCHEMBL27412143 0.87 ALDH1A1 (0.41) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7141839 0.86 CA12 (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7145257 0.86 NPC1 (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7135245 0.85 ALDH1A1 (0.48) NPC1RAB9AKMT2AALDH1A1CA12
SCHEMBL7456281 0.84 SPR (0.51) DRD2CA7CA14CA9TAAR1
SCHEMBL734928 0.84 ATM (0.55) KMT2AATMALDH1A1CA12CA7
SCHEMBL16355751 0.84 CYP4A11 (0.41) NPC1RAB9ACA12CA14CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583887-B2 PSMA imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2026-03-24 — — US disclosed
US-12559521-B2 PSMA imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2026-02-24 — — US disclosed
US-20240425547-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2024-12-26 — — US disclosed
US-20240409580-A1 PSMA Imaging Agents SIEMENS MEDICAL SOLUTIONS USA, INC. 2024-12-12 — — US disclosed
US-12139554-B2 PSMA imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2024-11-12 — — US disclosed
US-12122851-B2 PSMA imaging agents SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2024-10-22 — — US disclosed
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 — — US disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 — — EP disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 — — CN disclosed
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 — — WO disclosed
US-6103711-A INTERLEUKIN-1 MEDIATED DISEASES; ANTIINFLAMMATORY AND -CARCINOGENIC AGENTS; AUTOIMMUNE AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INCORPORATED (US) 2000-08-15 — — US disclosed
EP-0951284-A1 PHENYLETHYLAMINE DERIVATIVES TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-10-27 — — EP disclosed
US-5973111-A NOVEL COMPOUNDS THAT ARE CAPABLE OF BINDING TO THE ACTIVE SITE OF INTERLEUKIN-1B-CONVERTING ENZYME (ICE) AND INHIBITING ACTIVITY OF THAT ENZYME; ADMINISTERING TO TREAT INFLAMMATORY, AUTOIMMUNE, AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1999-10-26 — — US disclosed
US-5847135-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-12-08 — — US disclosed
WO-1998026775-A1 PHENYLETHYLAMINE DERIVATIVES TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1998-06-25 — — WO disclosed
US-5716929-A THERAPY FOR INFLAMMATION, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1998-02-10 — — US disclosed
US-5656627-A USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1997-08-12 — — US disclosed
EP-0784628-A1 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1997-07-23 — — EP disclosed
WO-1995035308-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-12-28 — — WO disclosed
US-4831184-A N-substituted-amido-amino acids RORER PHARMACEUTICAL CORPORATION (US) 1989-05-16 — — 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 (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-20240425547-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 NPC1 661/4885RAB9A 1005/4885MAPT 1246/4885
US-20240409580-A1 PSMA Imaging Agents FOLH1, KLK3, PSMA2 NPC1 661/4885RAB9A 1005/4885MAPT 1246/4885
US-12559521-B2 PSMA imaging agents KLK3, PSMA1, PSMA6 NPC1 101/4885RAB9A 1350/4885MAPT 2115/4885
US-12139554-B2 PSMA imaging agents FOLH1, KLK3, PSMA2 NPC1 661/4885RAB9A 1005/4885MAPT 1246/4885
US-12583887-B2 PSMA imaging agents KLK3, PSMA3, PSMA1 NPC1 51/4885RAB9A 1733/4885MAPT 1455/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 NPC1 239/4885RAB9A 1728/4885MAPT 4728/4885
US-12122851-B2 PSMA imaging agents FOLH1, KLK3, PSMA2 NPC1 661/4885RAB9A 1005/4885MAPT 1246/4885

“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.