SCHEMBL3163992

SCHEMBL3163992

CC(S)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.59
ALDH1A1 P00352 4/20 0.49
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
SLC6A2 P23975 1/20 0.42
MAPT P10636 1/20 0.40
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX1 P07099 1/20 0.39
KIF11 P52732 1/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
HSD11B1 P28845 1/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL84428 0.83 ALDH1A1 (0.65) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL2056155 0.83 PDE2A (0.58) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL19314070 0.81 ACACB (0.44) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL1676518 0.79 PDE2A (0.54) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL18291828 0.79 PDE2A (0.54) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL2021163 0.79 PDE2A (0.54) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL3310194 0.79 PDE2A (0.54) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL1729345 0.79 PDE2A (0.54) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL5924733 0.79 PDE2A (0.54) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL1046494 0.79 PDE2A (0.54) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203062-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-06-29 US disclosed
US-10858338-B2 Inhibitors for soluble epoxide hydrolase (SEH) and fatty acid amide hydrolase (FAAH) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-08 US disclosed
US-10407392-B2 Antifungal compound process Mycovia Pharmaceuticals, Inc. (US) 2019-09-10 US disclosed
US-20190177298-A1 Antifungal Compound Process MYCOVIA PHARMACEUTICALS INC (US) 2019-06-13 US disclosed
US-20190077785-A1 INHIBITORS FOR SOLUBLE EPOXIDE HYDROLASE (SEH) AND FATTY ACID AMIDE HYDROLASE (FAAH) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-03-14 US disclosed
US-20170304272-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2017-10-26 US disclosed
EP-1341534-B1 COMPOUNDS HAVING FUNGICIDAL ACTIVITY AND PROCESSES TO MAKE AND USE SAME DOW AGROSCIENCES LLC (US) 2010-03-31 EP disclosed
EP-1341534-A4 COMPOUNDS HAVING FUNGICIDAL ACTIVITY AND PROCESSES TO MAKE AND USE SAME DOW AGROSCIENCES LLC (US) 2005-09-28 EP disclosed
US-6815556-B2 KILLING PLANT DISEASES DOW AGROSCIENCES LLC 2004-11-09 US disclosed
US-20040030189-A1 Compounds having fungicidal activity and processes to make and use same RASMUSSEN KLITTICH CARLA JEAN (US) 2004-02-12 US disclosed
EP-1341534-A2 COMPOUNDS HAVING FUNGICIDAL ACTIVITY AND PROCESSES TO MAKE AND USE SAME Dow AgroSciences LLC (US) 2003-09-10 EP disclosed
WO-2002040431-A2 COMPOUNDS HAVING FUNGICIDAL ACTIVITY AND PROCESSES TO MAKE AND USE SAME DOW AGROSCIENCES LLC (US) 2002-05-23 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-20230203062-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, TP53, MCL1 PDE2A 1863/4885ALDH1A1 829/4885SLC6A4 3261/4885
US-10407392-B2 Antifungal compound process ERG28, DPM1, CYP51A1 PDE2A 3677/4885ALDH1A1 1891/4885SLC6A4 3155/4885
US-10858338-B2 Inhibitors for soluble epoxide hydrolase (SEH) and fatty acid amide hydrolase (FAAH) FAAH, FAAH2, EPHX2 PDE2A 2169/4885ALDH1A1 261/4885SLC6A4 1808/4885
US-20040030189-A1 Compounds having fungicidal activity and processes to make and use same CYP51A1, DDT, CYP4X1 PDE2A 949/4885ALDH1A1 315/4885SLC6A4 3644/4885
US-20190177298-A1 Antifungal Compound Process ERG28, DPM1, CYP51A1 PDE2A 3677/4885ALDH1A1 1891/4885SLC6A4 3155/4885
US-20170304272-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF FXR1, SLC10A1, NR1H4 PDE2A 1064/4885ALDH1A1 1135/4885SLC6A4 1011/4885
US-20190077785-A1 INHIBITORS FOR SOLUBLE EPOXIDE HYDROLASE (SEH) AND FATTY ACID AMIDE HYDROLASE (FAAH) FAAH, FAAH2, EPHX2 PDE2A 2169/4885ALDH1A1 261/4885SLC6A4 1808/4885

“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.