SCHEMBL514507

SCHEMBL514507

NC(Cc1cc2ccccc2s1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.53
ASIC3 Q9UHC3 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
S1PR4 O95977 2/20 0.52
S1PR5 Q9H228 2/20 0.52
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
AGXT P21549 1/20 0.49
BCL2L1 Q07817 1/20 0.47
MMP1 P03956 1/20 0.46
FCER2 P06734 1/20 0.46
ADRB2 P07550 1/20 0.45
SLC9A1 P19634 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 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
SCHEMBL1062090 1.00 CYP2A6 (0.53) CYP2A6ASIC3LOXL2S1PR4S1PR5
SCHEMBL4626056 1.00 CYP2A6 (0.53) CYP2A6ASIC3LOXL2S1PR4S1PR5
Trifluoroacetic Acid SCHEMBL6161390 0.92 S1PR4 (0.46) CYP2A6ASIC3LOXL2S1PR4S1PR5
SCHEMBL16461209 0.85 CYP2A6 (0.58) CYP2A6ASIC3LOXL2S1PR4S1PR5
SCHEMBL5323216 0.85 CYP2A6 (0.50) CYP2A6ASIC3LOXL2S1PR4S1PR5
SCHEMBL2032875 0.82 CYP2A6 (0.50) CYP2A6ASIC3LOXL2S1PR4S1PR5
SCHEMBL2030629 0.82 CYP2A6 (0.50) CYP2A6ASIC3LOXL2S1PR4S1PR5
SCHEMBL7026459 0.81 AGXT (0.49) CYP2A6ASIC3LOXL2AGXTBCL2L1
SCHEMBL26987594 0.79 NNMT (0.54) CYP2A6ASIC3LOXL2S1PR4S1PR5
SCHEMBL27130058 0.79 NNMT (0.54) CYP2A6ASIC3LOXL2S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12496350-B2 Cyclic peptidyl inhibitors of CAL-PDZ binding domain OHIO STATE INNOVATION FOUNDATION (US) 2025-12-16 US claimed
US-20250353814-A1 NON-PEPTIDIC CELL-PENETRATING MOTIFS OHIO STATE INNOVATION FOUNDATION (US) 2025-11-20 US claimed
US-12404236-B2 Non-peptidic cell-penetrating motifs OHIO STATE INNOVATION FOUNDATION (US) 2025-09-02 US claimed
US-12329799-B2 Peptidyl inhibitors of calcineurin-NFAT interaction OHIO STATE INNOVATION FOUNDATION (US) 2025-06-17 US claimed
WO-2025054727-A1 RADIOLABELED COMPOUNDS FOR IN VIVO IMAGING OF GASTRIN-RELEASING PEPTIDE RECEPTOR (GRPR) AND TREATMENT OF GRPR-RELATED DISORDERS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2025-03-20 WO claimed
US-20240360174-A1 CELL-PENETRATING PEPTIDE SEQUENCES OHIO STATE INNOVATION FOUNDATION 2024-10-31 US claimed
US-20240173423-A1 CYCLIC PEPTIDYL INHIBITORS OF CAL-PDZ BINDING DOMAIN OHIO STATE INNOVATION FOUNDATION 2024-05-30 US claimed
US-20240101509-A1 NON-PEPTIDIC CELL-PENETRATING MOTIFS OHIO STATE INNOVATION FOUNDATION 2024-03-28 US claimed
CN-117567639-A Polypeptide conjugates for intracellular delivery of binding peptides 俄亥俄州国家创新基金会 2024-02-20 CN claimed
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2024-02-01 US claimed
EP-0833839-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-04-08 EP claimed
EP-0804463-A1 NEUROKININE (TACHYKININE) ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1997-11-05 EP claimed
WO-1996040742-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATEDDISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
WO-1996040741-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
WO-1996040748-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
US-5523308-A SERINE PROTEASES INHIBITORS; ORAL ANTICOAGULANTS; CHEMICAL INTERMEDIATES; DIPEPTIDES ORTHO PHARMACEUTICAL CORPORATION 1996-06-04 US claimed
WO-1995030687-A1 NEUROKININE (TACHYKININE) ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1995-11-16 WO claimed
EP-0276014-B1 Anticoagulant peptides MERRELL DOW PHARMA (US) 1994-08-31 EP claimed
EP-0610487-A1 NEW AMINOACID DERIVATES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM KG (DE) 1994-08-17 EP claimed
WO-1994005693-A1 NEW AMINOACID DERIVATES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM KG (DE) 1994-03-17 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-12404236-B2 Non-peptidic cell-penetrating motifs TIMM50, TIMM10, PITRM1 CYP2A6 4596/4885ASIC3 2671/4885LOXL2 2844/4885
US-20240101509-A1 NON-PEPTIDIC CELL-PENETRATING MOTIFS TIMM50, TIMM10, PITRM1 CYP2A6 4596/4885ASIC3 2671/4885LOXL2 2844/4885
US-20250353814-A1 NON-PEPTIDIC CELL-PENETRATING MOTIFS TIMM50, TIMM10, PITRM1 CYP2A6 4596/4885ASIC3 2671/4885LOXL2 2844/4885
US-20240173423-A1 CYCLIC PEPTIDYL INHIBITORS OF CAL-PDZ BINDING DOMAIN CNBP, CALU, CLSPN CYP2A6 3353/4885ASIC3 1284/4885LOXL2 4725/4885
US-12329799-B2 Peptidyl inhibitors of calcineurin-NFAT interaction CHP1, NFATC1, PPP3R1 CYP2A6 3581/4885ASIC3 725/4885LOXL2 4495/4885
US-20240360174-A1 CELL-PENETRATING PEPTIDE SEQUENCES VIP, LNPEP, NGLY1 CYP2A6 4679/4885ASIC3 2540/4885LOXL2 3333/4885
US-12496350-B2 Cyclic peptidyl inhibitors of CAL-PDZ binding domain CNBP, CALU, CLSPN CYP2A6 3353/4885ASIC3 1284/4885LOXL2 4725/4885
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 CYP2A6 3581/4885ASIC3 725/4885LOXL2 4495/4885

“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.