SCHEMBL514509

SCHEMBL514509

NC(Cc1csc2ccccc12)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.54
DPP4 P27487 2/20 0.53
DPP8 Q6V1X1 2/20 0.53
DPP9 Q86TI2 2/20 0.53
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MPO P05164 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.52
OPRD1 P41143 1/20 0.50
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

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
SCHEMBL1421072 1.00 CYP2A6 (0.54) CYP2A6DPP4DPP8DPP9MAPT
SCHEMBL514508 1.00 CYP2A6 (0.54) CYP2A6DPP4DPP8DPP9MAPT
SCHEMBL29373380 1.00 CYP2A6 (0.54) CYP2A6DPP4DPP8DPP9MAPT
SCHEMBL2466886 1.00 CYP2A6 (0.54) CYP2A6DPP4DPP8DPP9MAPT
Hydrochloric Acid SCHEMBL31036845 0.98 CYP2A6 (0.53) CYP2A6DPP4DPP8DPP9MAPT
Hydrochloric Acid SCHEMBL4903646 0.98 CYP2A6 (0.53) CYP2A6DPP4DPP8DPP9MAPT
Hydrochloric Acid SCHEMBL4903643 0.98 CYP2A6 (0.53) CYP2A6DPP4DPP8DPP9MAPT
Trifluoroacetic Acid SCHEMBL6161392 0.92 DPP4 (0.48) CYP2A6DPP4DPP8DPP9MAPT
SCHEMBL28905932 0.88 CYP2A6 (0.54) CYP2A6DPP4DPP8DPP9OPRD1
SCHEMBL14401103 0.88 CYP2A6 (0.54) CYP2A6DPP4DPP8DPP9OPRD1

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 617 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-20240197896-A1 SYNTHETIC PEPTIDE SHUTTLE AGENT BIOCONJUGATES FOR INTRACELLULAR CARGO DELIVERY FELDAN BIO INC. (CA) 2024-06-20 US claimed
US-20240173423-A1 CYCLIC PEPTIDYL INHIBITORS OF CAL-PDZ BINDING DOMAIN OHIO STATE INNOVATION FOUNDATION 2024-05-30 US claimed
US-20240123099-A1 RADIOLABELED COMPOUNDS FOR IN VIVO IMAGING OF GASTRIN-RELEASING PEPTIDE RECEPTOR (GRPR) AND TREATMENT OF GRPR-RELATED DISORDERS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-04-18 US claimed
US-20240101509-A1 NON-PEPTIDIC CELL-PENETRATING MOTIFS OHIO STATE INNOVATION FOUNDATION 2024-03-28 US claimed
WO-1999004752-A2 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 1999-02-04 WO claimed
US-5856107-A Combinatorial libraries of imidazol-pyrido-indole and imidazol-pyrido-benzothiophene derivatives, methods of making the libraries and compounds therein TREGA BIOSCIENCES, INC. (US) 1999-01-05 US claimed
WO-1998034112-A1 COMBINATORIAL LIBRARIES OF IMIDAZOL-PYRIDO-INDOLES AND IMIDAZOL-PYRIDO-BENZOTHIOPHENE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
EP-0833839-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-04-08 EP claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
WO-1996040741-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
WO-1996040742-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATEDDISORDERS 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
EP-0276014-B1 Anticoagulant peptides MERRELL DOW PHARMA (US) 1994-08-31 EP 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 (9 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 4596/4885DPP4 1640/4885DPP8 1089/4885
US-20240101509-A1 NON-PEPTIDIC CELL-PENETRATING MOTIFS TIMM50, TIMM10, PITRM1 CYP2A6 4596/4885DPP4 1640/4885DPP8 1089/4885
US-20250353814-A1 NON-PEPTIDIC CELL-PENETRATING MOTIFS TIMM50, TIMM10, PITRM1 CYP2A6 4596/4885DPP4 1640/4885DPP8 1089/4885
US-20240197896-A1 SYNTHETIC PEPTIDE SHUTTLE AGENT BIOCONJUGATES FOR INTRACELLULAR CARGO DELIVERY SCAMP2, SLC7A1, NUMA1 CYP2A6 4641/4885DPP4 3370/4885DPP8 2291/4885
US-20240173423-A1 CYCLIC PEPTIDYL INHIBITORS OF CAL-PDZ BINDING DOMAIN CNBP, CALU, CLSPN CYP2A6 3353/4885DPP4 412/4885DPP8 233/4885
US-20240123099-A1 RADIOLABELED COMPOUNDS FOR IN VIVO IMAGING OF GASTRIN-RELEASING PEPTIDE RECEPTOR (GRPR) AND TREATMENT OF GRPR-RELATED DISORDERS GRPR, NPY5R, NPY2R CYP2A6 966/4885DPP4 220/4885DPP8 146/4885
US-12329799-B2 Peptidyl inhibitors of calcineurin-NFAT interaction CHP1, NFATC1, PPP3R1 CYP2A6 3581/4885DPP4 1877/4885DPP8 2336/4885
US-20240360174-A1 CELL-PENETRATING PEPTIDE SEQUENCES VIP, LNPEP, NGLY1 CYP2A6 4679/4885DPP4 857/4885DPP8 342/4885
US-12496350-B2 Cyclic peptidyl inhibitors of CAL-PDZ binding domain CNBP, CALU, CLSPN CYP2A6 3353/4885DPP4 412/4885DPP8 233/4885

“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.