SCHEMBL417462

SCHEMBL417462

Nc1ccc(C(=O)O)cc1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
CDC25B P30305 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LMNA P02545 2/20 0.44
PYGL P06737 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 3/20 0.42

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
SCHEMBL12970641 0.86 SLC6A2 (0.46) RXRARXRBRXRGALDH1A1MAPK1
SCHEMBL2348012 0.86 RXRA (0.47) RXRARXRBRXRGCDC25BCA12
SCHEMBL3367612 0.84 RXRA (0.54) RXRARXRBRXRGCA12CA1
SCHEMBL14213194 0.82 RXRA (0.49) RXRARXRBRXRGCA12CA1
SCHEMBL2033666 0.82 NOTUM (0.54) CA12CA1CA2CA7CA9
SCHEMBL31003812 0.82 NOTUM (0.54) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL2241815 0.81 NOTUM (0.52) CA12CA1CA2CA7CA9
SCHEMBL12526835 0.81 SLC6A2 (0.51) ALDH1A1HPGD
SCHEMBL13175556 0.81 SLC6A2 (0.49) TSHRHTTHPGD
SCHEMBL1110964 0.81 HTT (0.50) RXRARXRBRXRGCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116870016-B Heteroaromatic compound and medical application thereof 希格生科(深圳)有限公司 2024-05-28 CN disclosed
US-11897877-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-02-13 US disclosed
CN-117412981-A Phosphine oxide derivative and preparation method and application thereof 希格生科(深圳)有限公司 2024-01-16 CN disclosed
CN-115785154-A Heteroaromatic ring compounds and medical use thereof 希格生科(深圳)有限公司 2023-03-14 CN disclosed
US-20220402912-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2022-12-22 US disclosed
EP-3546463-B1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON DAIICHI SANKYO CO LTD (JP) 2022-12-07 EP disclosed
US-20220298163-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEIGENE, LTD. (KY) 2022-09-22 US disclosed
US-11377449-B2 BTK inhibitors with improved dual selectivity BEIGENE, LTD. (KY) 2022-07-05 US disclosed
US-11046688-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-29 US disclosed
EP-3736268-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS Signal Pharmaceuticals, LLC (US) 2020-11-11 EP disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
WO-2003084922-A1 ACYL-4-CARBOXYPHENYLUREA DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-16 WO disclosed
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US disclosed
US-20030069284-A1 Compounds useful for inhibiting Chk1 ICOS CORPORATION (A WASHINGTON CORPORATION) 2003-04-10 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO disclosed
WO-2002070494-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2002-09-12 WO disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO 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 (7 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-20220298163-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BTK, SYK, LYN RXRA 4811/4885RXRB 4619/4885RXRG 4713/4885
US-11377449-B2 BTK inhibitors with improved dual selectivity BTK, SYK, LYN RXRA 4811/4885RXRB 4619/4885RXRG 4713/4885
US-20220402912-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 RXRA 3800/4885RXRB 3607/4885RXRG 3682/4885
US-11046688-B2 Inhibitor compounds BUB1B, BUB1, CDK1 RXRA 3800/4885RXRB 3607/4885RXRG 3682/4885
US-11897877-B2 Inhibitor compounds BUB1B, BUB1, CDK1 RXRA 3800/4885RXRB 3607/4885RXRG 3682/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 RXRA 737/4885RXRB 727/4885RXRG 544/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 RXRA 4187/4885RXRB 4127/4885RXRG 4065/4885

“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.