SCHEMBL696914

SCHEMBL696914

Cc1cc(Br)cc(C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 3/20 0.70
HCAR1 Q9BXC0 1/20 0.59
HCAR2 Q8TDS4 2/20 0.47
POLB P06746 2/20 0.47
TTR P02766 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CNR2 P34972 1/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
SRD5A2 P31213 1/20 0.40
NOTUM Q6P988 1/20 0.40
KDR P35968 1/20 0.40
NR4A1 P22736 1/20 0.39

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
SCHEMBL30762678 1.00 TPMT (0.70) TPMTHCAR1HCAR2POLBTTR
SCHEMBL26334413 0.92 TPMT (0.59) TPMTHCAR1HCAR2POLBTTR
SCHEMBL7786069 0.84 TPMT (0.46) TPMTHCAR1ALDH1A1SMN1; SMN2KDR
SCHEMBL29547990 0.84 TPMT (0.46) TPMTHCAR1ALDH1A1SMN1; SMN2KDR
SCHEMBL23501889 0.83 TTR (0.56) TPMTHCAR1HCAR2POLBTTR
SCHEMBL475757 0.83 TTR (0.56) TPMTHCAR1HCAR2POLBTTR
SCHEMBL221684 0.83 TPMT (1.00) TPMTHCAR1HCAR2POLBRXRA
SCHEMBL8361 0.83 TTR (0.56) TPMTHCAR1HCAR2POLBTTR
SCHEMBL40661 0.83 TPMT (0.89) TPMTHCAR1HCAR2RXRARXRB
SCHEMBL19723419 0.82 HTT (0.46) TPMTHCAR1ALDH1A1SMN1; SMN2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 US disclosed
US-12454534-B2 Pyrrolo[2,3-b]pyrazines as HPK1 inhibitor and the use thereof BEONE MEDICINES I GMBH (CH) 2025-10-28 US disclosed
EP-4615825-A1 INHIBITORS OF CYCLIC ADP RIBOSE HYDROLASE METHODS OF USE THEREOF Flagship Pioneering Innovations VI, LLC (US) 2025-09-17 EP disclosed
EP-4467199-A2 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2024-11-27 EP disclosed
CN-118908957-A Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-11-08 CN disclosed
CN-115073474-B Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-10-18 CN disclosed
WO-2024211346-A1 MUTANT PI3K-ALPHA INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2024-10-10 WO disclosed
EP-3976597-B1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2024-08-28 EP disclosed
CN-114222737-B Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-07-26 CN disclosed
US-20240199605-A1 SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2024-06-20 US disclosed
US-5866610-A Substituted benzoylguanidines, process for their preparation, their use as a pharmaceutical as inhibitors of the cellular NA+/H+ exchange or as a diagnostic, and pharmaceutical containing them HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-02 US disclosed
WO-1998025605-A1 SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-06-18 WO disclosed
EP-0612723-B1 Substituted benzoylguanidines, process for their preparation, their use as medicament, as inhibitor of the cellular Na+/H+ exchange or as diagnostic agent and medicament containing them HOECHST AG (DE) 1997-08-27 EP disclosed
EP-0603650-B1 3,5-Substituted amino benzoylguanidines, process for their preparation, their use as medicine or diagnostic agent, as well as a medicine containing them HOECHST AG (DE) 1997-04-02 EP disclosed
US-5516805-A 3,5-substituted aminobenzoylguanidines, their use as a medicament or diagnostic and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed
EP-0702681-A1 SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS MERCK & CO. INC. (US) 1996-03-27 EP disclosed
WO-1994029309-A1 SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-12-22 WO disclosed
EP-0612723-A1 Substituted benzoylguanidines, process for their preparation, their use as medicament, as inhibitor of the cellular Na+/H+ exchange or as diagnostic agent and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-08-31 EP disclosed
EP-0603650-A1 3,5-Substituted amino benzoylguanidines, process for their preparation, their use as medicine or diagnostic agent, as well as a medicine containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-29 EP disclosed
US-3953595-A Substituted benzoic acid hypolipemic agents PFIZER INC. (US) 1976-04-27 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 (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-12454534-B2 Pyrrolo[2,3-b]pyrazines as HPK1 inhibitor and the use thereof PDXK, STK25, STK35 TPMT 931/4885HCAR1 1142/4885HCAR2 1009/4885
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase IRAK3, IKBKB, IKBKG TPMT 2075/4885HCAR1 623/4885HCAR2 960/4885
US-20240199605-A1 SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, IKBKE TPMT 2009/4885HCAR1 858/4885HCAR2 1393/4885

“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.