SCHEMBL2443339

SCHEMBL2443339

Cc1cc(F)c(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
DTYMK P23919 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
CYP3A4 P08684 2/20 0.40
RECQL P46063 2/20 0.40
CASP6 P55212 1/20 0.40
GPR35 Q9HC97 3/20 0.39
POLB P06746 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
SCHEMBL26099704 0.93 TSHR (0.51) TSHRTDP1L3MBTL1CES2CES1
SCHEMBL2240615 0.86 TSHR (0.51) TSHRTDP1L3MBTL1CES2CES1
SCHEMBL1225933 0.86 TSHR (0.44) TSHRTDP1CES2CES1ALDH1A1
SCHEMBL8129334 0.85 TSHR (0.58) TSHRTDP1L3MBTL1CES2CES1
SCHEMBL8136865 0.85 TSHR (0.58) TSHRTDP1L3MBTL1CES2CES1
SCHEMBL15938731 0.85 ALDH1A1 (0.45) TSHRTDP1CES2CES1ALDH1A1
SCHEMBL28521194 0.85 TSHR (0.42) TSHRTDP1CES2CES1ALDH1A1
SCHEMBL4180430 0.84 TSHR (0.61) TSHRTDP1L3MBTL1CES2CES1
SCHEMBL670578 0.84 DTYMK (0.46) TSHRTDP1DTYMKALDH1A1MAPT
Hydrochloric Acid SCHEMBL11774750 0.82 TSHR (0.59) TSHRTDP1L3MBTL1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4606803-A1 KRAS G12D DEGRADATION AGENT, AND PREPARATION METHOD AND USE THEREFOR Leadingtac Pharmaceutical (Shaoxing) Co., Ltd. (CN) 2025-08-27 EP disclosed
US-20250197369-A1 NOVEL HETEROCYCLIC INHIBITOR FOR HISTONE DEACETYLASE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SOOKMYUNG WOMEN'S UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2025-06-19 US disclosed
CN-119954709-A Preparation method of sulfoxide compound, aniline compound and preparation method of aniline compound 帕潘纳(北京)科技有限公司 2025-05-09 CN disclosed
WO-2025056518-A1 5,6-DISUBSTITUTED ALKYL 1H AND 2H-INDAZOLES AS DUAL BUTYRYLCHOLINESTERASE AND p38α MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES UNIVERZA V LJUBLJANI (SI) 2025-03-20 WO disclosed
US-20250042901-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INT (DE) 2025-02-06 US disclosed
EP-4494640-A1 NOVEL HETEROCYCLIC INHIBITOR FOR HISTONE DEACETYLASE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Sookmyung Women's University Industry-Academic Cooperation Foundation (KR) 2025-01-22 EP disclosed
CN-119212701-A Novel histone deacetylase heterocycle inhibitor and pharmaceutical composition containing the same 淑明女子大学校 产学协力团 2024-12-27 CN disclosed
WO-2024259328-A1 INHIBITORS OF RIPK2 AND USES THEREOF ODYSSEY THERAPEUTICS, INC. (US) 2024-12-19 WO disclosed
US-12139484-B2 Substituted benzamides as RIPK2 inhibitors for treatment of inflammatory bowel disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-11-12 US disclosed
WO-2024083258-A1 KRAS G12C DEGRADATION AGENT, AND PREPARATION METHOD AND USE THEREFOR 上海领泰生物医药科技有限公司 2024-04-25 WO disclosed
EP-1997809-A2 Indazole, benzoxazole and pyrazolopyridine derivatives for medical use Array Biopharma Inc. (US) 2008-12-03 EP disclosed
EP-1606283-B1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-10-08 EP disclosed
WO-2004078116-A9 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-09-12 WO disclosed
EP-1606283-A4 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-05-23 EP disclosed
US-7135575-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2006-11-14 US disclosed
EP-1606283-A2 P38 INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2005-12-21 EP disclosed
US-20040192653-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. 2004-09-30 US disclosed
US-20040180896-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA, INC. 2004-09-16 US disclosed
WO-2004078116-A2 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2004-09-16 WO disclosed
US-20040176325-A1 P38 MAP kinase inhibitors comprising indazole derivatives; antiinflammatory and antiproliferative agents; autoimmune, bone, and neurodegenerative disorders; viricides, infections ARRAY BIOPHARMA INC. 2004-09-09 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 (6 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-20250197369-A1 NOVEL HETEROCYCLIC INHIBITOR FOR HISTONE DEACETYLASE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME HDAC1, HDAC6, HDAC5 TSHR 3854/4885TDP1 1096/4885L3MBTL1 3784/4885
US-20040176325-A1 P38 MAP kinase inhibitors comprising indazole derivatives; antiinflammatory and antiproliferative agents; autoimmune, bone, and neurodegenerative disorders; viricides, infections MAPK1, MAPK3, MAP3K1 TSHR 3672/4885TDP1 391/4885L3MBTL1 2820/4885
US-20040180896-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 TSHR 3869/4885TDP1 803/4885L3MBTL1 2303/4885
US-20040192653-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 TSHR 3869/4885TDP1 803/4885L3MBTL1 2303/4885
US-20250042901-A1 HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 TSHR 3274/4885TDP1 1175/4885L3MBTL1 3517/4885
US-12139484-B2 Substituted benzamides as RIPK2 inhibitors for treatment of inflammatory bowel disease RIPK2, RIPK4, RIPK1 TSHR 4407/4885TDP1 2595/4885L3MBTL1 4152/4885

“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.