SCHEMBL10170299

SCHEMBL10170299

CC(C)(C)c1ccccc1C(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA2 P00918 1/20 0.41
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
KIF11 P52732 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
P2RX7 Q99572 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
TRPA1 O75762 3/20 0.31
HSD11B1 P28845 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ACP3 P15309 1/20 0.31
MAPT P10636 1/20 0.30
GRIN2D O15399 1/20 0.30

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
SCHEMBL18367695 0.84 TSHR (0.43) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL23344923 0.80 CA2 (0.41) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL23344942 0.80 CA2 (0.41) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL23344921 0.79 P2RX7 (0.49) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL21718896 0.79 NPC1 (0.36) ALDH1A1TSHRTDP1CYP3A4CYP2C19
SCHEMBL25451272 0.79 CA2 (0.40) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL4667743 0.78 GABRA1 (0.46) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL7941102 0.78 ALDH1A1 (0.52) ALDH1A1TSHRTDP1CA2GABRA1
SCHEMBL10546400 0.78 ACP3 (0.47) ALDH1A1TSHRTDP1P2RX7TRPA1
SCHEMBL9621326 0.78 TSHR (0.46) ALDH1A1TSHRTDP1CA2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041714-B1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-13 EP disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists SAIL BIOMEDICINES, INC. 2023-07-27 US disclosed
US-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists SAIL BIOMEDICINES, INC. 2023-07-27 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-10316017-B2 COT modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 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 (12 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS ALDH1A1 2149/4885TSHR 11/4885TDP1 1212/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 ALDH1A1 164/4885TSHR 481/4885TDP1 3424/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 ALDH1A1 1577/4885TSHR 408/4885TDP1 3729/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS ALDH1A1 2149/4885TSHR 11/4885TDP1 1212/4885
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD ALDH1A1 116/4885TSHR 4034/4885TDP1 469/4885
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 ALDH1A1 525/4885TSHR 2413/4885TDP1 2067/4885
US-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists AHR, ARNT, AIPL1 ALDH1A1 799/4885TSHR 489/4885TDP1 3078/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 ALDH1A1 164/4885TSHR 481/4885TDP1 3424/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ALDH1A1 894/4885TSHR 2711/4885TDP1 945/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB ALDH1A1 510/4885TSHR 2360/4885TDP1 1556/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 ALDH1A1 2185/4885TSHR 320/4885TDP1 3884/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS ALDH1A1 2149/4885TSHR 11/4885TDP1 1212/4885

“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.