SCHEMBL1300753

SCHEMBL1300753

COC(=O)c1cc(I)c(F)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
HPGD P15428 4/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 8/20 0.46
CFTR P13569 1/20 0.45
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
HSD17B10 Q99714 4/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
RAB9A P51151 1/20 0.40
SOS1 Q07889 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL23704095 0.85 GAA (0.54) GAAHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL3872035 0.85 CFTR (0.50) GAAHPGDALDH1A1KDM4ECFTR
SCHEMBL1300941 0.84 ALDH1A1 (0.50) HPGDALDH1A1KDM4EHTTACHE
SCHEMBL11922634 0.84 CFTR (0.49) GAAHPGDALDH1A1KDM4ECFTR
SCHEMBL15543856 0.81 CFTR (0.46) GAAHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL30632104 0.81 GAA (0.50) GAAHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL24515482 0.81 GAA (0.50) GAAHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL1918973 0.81 GAA (0.50) GAAHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL2596444 0.79 GAA (0.66) GAAHPGDALDH1A1KDM4ECFTR
SCHEMBL16117940 0.79 GAA (0.61) GAAHPGDALDH1A1SMN1; SMN2KDM4E

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4448508-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
CN-118647606-A Benzothiophene derivatives as RXFP1 agonists 百时美施贵宝公司 2024-09-13 CN disclosed
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
US-20230348363-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-11-02 US disclosed
EP-4259605-A1 4-(2-FLUORO-4-METHOXY-5-3-(((1-METHYLCYCLOBUTYL)METHYL)CARBAMOYL)BICYCLO[2.2.1]HEPTAN-2-YL)CARBAMOYL)PHENOXY)-1-METHYLCYCLOHEXANE-1-CARBOXYLIC ACID DERIVATIVES AND SIMILAR COMPOUNDS AS RXFP1 MODULATORS FOR THE TREATMENT OF HEART FAILURE Astrazeneca AB (SE) 2023-10-18 EP disclosed
CN-116547270-A 4- (2-fluoro-4-methoxy-5-3- (((1-methylcyclobutyl) methyl) carbamoyl) bicyclo [2.2.1] hept-2-yl) carbamoyl) phenoxy) -1-methylcyclohexane-1-carboxylic acid derivatives and similar compounds as RXFP1 modulators for the treatment of heart failure 阿斯利康(瑞典)有限公司 2023-08-04 CN disclosed
WO-2023114823-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed
US-11667602-B2 Compounds and their use ASTRAZENECA AB (SE) 2023-06-06 US disclosed
US-20230078576-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-03-16 US disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed
WO-2022122773-A1 4-(2-FLUORO-4-METHOXY-5-3-(((1-METHYLCYCLOBUTYL)METHYL)CARBAMOYL)BICYCLO[2.2.1]HEPTAN-2-YL)CARBAMOYL)PHENOXY)-1-METHYLCYCLOHEXANE-1-CARBOXYLIC ACID DERIVATIVES AND SIMILAR COMPOUNDS AS RXFP1 MODULATORS FOR THE TREATMENT OF HEART FAILURE ASTRAZENECA AB (SE) 2022-06-16 WO disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 US disclosed
EP-2231665-A2 NOVEL COMPOSITIONS AND METHODS OF USE Ardea Biosciences, Inc. (US) 2010-09-29 EP disclosed
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 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 (5 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-11667602-B2 Compounds and their use RXFP1, RXFP3, RXFP2 GAA 3044/4885HPGD 803/4885ALDH1A1 1531/4885
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP GAA 176/4885HPGD 1541/4885ALDH1A1 1976/4885
US-20230348363-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 GAA 3044/4885HPGD 803/4885ALDH1A1 1531/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP GAA 176/4885HPGD 1541/4885ALDH1A1 1976/4885
US-20230078576-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 GAA 3044/4885HPGD 803/4885ALDH1A1 1531/4885

“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.