SCHEMBL13778702

SCHEMBL13778702

CC(C)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 3/20 0.50
▸ DHODH Q02127 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ SLC13A5 Q86YT5 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ SCN10A Q9Y5Y9 1/20 0.43
▸ MME P08473 1/20 0.43
▸ SLC6A7 Q99884 1/20 0.42
▸ CTSA P10619 2/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ GALR1 P47211 1/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ MCHR1 Q99705 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
SCHEMBL21363208 0.89 PTPN5 (0.49) PTPN5SLC13A5KCNH2SCN10ACTSA
SCHEMBL22888490 0.84 PTPN5 (0.54) PTPN5ALDH1A1RXRARXRB
SCHEMBL12591831 0.83 ALDH1A1 (0.59) PTPN5ALDH1A1SCN10AMCHR1
SCHEMBL1337217 0.81 TAAR1 (0.52) DHODHSLC13A5KCNH2SCN10AMME
SCHEMBL1044062 0.81 CYP1A2 (0.51) PTPN5DHODHSLC13A5KCNH2SCN10A
SCHEMBL2662566 0.81 KDM4E (0.45) ALDH1A1
SCHEMBL24910422 0.81 PTPN5 (0.43) PTPN5ALDH1A1KCNH2SCN10ACTSA
SCHEMBL5840598 0.81 SLC13A5 (0.51) DHODHSLC13A5KCNH2SCN10AMME
SCHEMBL23419684 0.80 CYP17A1 (0.49) PTPN5KCNH2CTSARXRARXRB
SCHEMBL30996181 0.80 ABL1 (0.61) ALDH1A1SLC13A5KCNH2SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4122934-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-01-25 — — EP disclosed
US-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN AEGERA THERAPEUTICS INC. (CA) 2009-07-02 — — 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 (1 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-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN SCN1B, SCN3A, SCN1A PTPN5 1297/4885DHODH 2122/4885ALDH1A1 658/4885

“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.

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