SCHEMBL100969

SCHEMBL100969

CC(C)c1ccc(C(=O)O)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 11/20 0.56
P4HA1 P13674 3/20 0.55
P4HTM Q9NXG6 2/20 0.55
MIF P14174 1/20 0.53
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRE P78334 1/20 0.52
GABRA6 Q16445 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52
GABRG3 Q99928 1/20 0.52
GABRQ Q9UN88 1/20 0.52

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
SCHEMBL30043919 1.00 HCAR3 (0.56) HCAR3P4HA1P4HTMMIFGABRP
SCHEMBL27688524 0.85 HCAR3 (0.57) HCAR3P4HA1P4HTMMIFGABRP
SCHEMBL28231895 0.85 HCAR3 (0.53) HCAR3P4HA1P4HTMMIFGABRP
SCHEMBL11176498 0.84 KCNJ1 (0.44) HCAR3P4HA1P4HTMMIFHCAR2
Hydrochloric Acid SCHEMBL18740156 0.83 GABRP (0.52) HCAR3P4HA1P4HTMMIFGABRP
Hydrochloric Acid SCHEMBL20538973 0.83 GABRP (0.52) HCAR3P4HA1P4HTMMIFGABRP
SCHEMBL531287 0.82 NNMT (0.55)
SCHEMBL31517714 0.82 NNMT (0.55)
SCHEMBL12894455 0.82 ALDH1A1 (0.48) GABRA1GABRB1ALDH1A1HPGDHSD17B10
SCHEMBL25754457 0.82 HCAR3 (0.58) HCAR3P4HA1P4HTMMIFGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250214970-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2025-07-03 US disclosed
US-20240279215-A1 NAMPT MODULATORS CYTOKINETICS, INCORPORATED 2024-08-22 US disclosed
EP-3334464-B1 MANGANESE-BASED CHELATE CONJUGATES FOR MOLECULAR MR IMAGING MASSACHUSETTS GEN HOSPITAL (US) 2024-04-10 EP disclosed
US-20240083886-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2024-03-14 US disclosed
EP-4229049-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2023-08-23 EP disclosed
CN-116547278-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-08-04 CN disclosed
US-20230234950-A1 CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-04-20 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20090220430-A1 Fluorescent Imaging Agents VISEN MEDICAL, INC. 2009-09-03 US disclosed
US-20090186830-A1 MACROCYCLES AND THEIR USES NOVARTIS AG (CH) 2009-07-23 US disclosed
US-20080317676-A1 Biocompatible Fluorescent Imaging Agents VISEN MEDICAL, INC. 2008-12-25 US disclosed
US-20080317676-A1 Biocompatible Fluorescent Imaging Agents VISEN MEDICAL, INC. 2008-12-25 US disclosed
US-20080267883-A1 Comprises carboxyl or carbonyl functionalized pyridine moiety; bioconjugation; biocompatability; in vivo optical imaging VISEN MEDICAL, INC. 2008-10-30 US disclosed
US-20080267883-A1 Comprises carboxyl or carbonyl functionalized pyridine moiety; bioconjugation; biocompatability; in vivo optical imaging VISEN MEDICAL, INC. 2008-10-30 US disclosed
US-20080226562-A1 Biocompatible fluorescent metal oxide nanoparticles VISEN MEDICAL, INC. 2008-09-18 US disclosed
US-20080194640-A1 Optically Active Tetrahydronaphthalene Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-14 US disclosed
EP-1852431-A1 OPTICALLY ACTIVE TETRAHYDRONAPHTHALENE DERIVATIVE MITSUBISHI PHARMA CORPORATION (JP) 2007-11-07 EP 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 (14 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-20230234950-A1 CRBN LIGANDS AND USES THEREOF CRBN, CRKL, ERBB3 HCAR3 2578/4885P4HA1 2563/4885P4HTM 1805/4885
US-20080317676-A1 Biocompatible Fluorescent Imaging Agents CD47, FIBP, CD68 HCAR3 126/4885P4HA1 2433/4885P4HTM 2624/4885
US-20080226562-A1 Biocompatible fluorescent metal oxide nanoparticles MACO1, CD68, CD63 HCAR3 670/4885P4HA1 1403/4885P4HTM 1454/4885
US-20080194640-A1 Optically Active Tetrahydronaphthalene Derivative C3AR1, C5AR1, C5AR2 HCAR3 28/4885P4HA1 1212/4885P4HTM 433/4885
US-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 HCAR3 714/4885P4HA1 1292/4885P4HTM 1526/4885
US-20240279215-A1 NAMPT MODULATORS NAMPT, SIRT1, NNT HCAR3 1359/4885P4HA1 1342/4885P4HTM 1987/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HCAR3 1681/4885P4HA1 1340/4885P4HTM 2727/4885
US-20090186830-A1 MACROCYCLES AND THEIR USES CYP11B2, OAT, CYP27A1 HCAR3 1913/4885P4HA1 2402/4885P4HTM 1684/4885
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS STING1, CGAS, MAVS HCAR3 1714/4885P4HA1 4676/4885P4HTM 4792/4885
US-20090220430-A1 Fluorescent Imaging Agents DNPEP, FURIN, MME HCAR3 913/4885P4HA1 965/4885P4HTM 984/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A HCAR3 444/4885P4HA1 1065/4885P4HTM 1057/4885
US-20240083886-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR HCAR3 310/4885P4HA1 924/4885P4HTM 1049/4885
US-20250214970-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A HCAR3 444/4885P4HA1 1065/4885P4HTM 1057/4885
US-20080267883-A1 Comprises carboxyl or carbonyl functionalized pyridine moiety; bioconjugation; biocompatability; in vivo optical imaging PAICS, PC, CBR3 HCAR3 128/4885P4HA1 1432/4885P4HTM 489/4885

“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.