Sugi Predict

Sugi Predict / Compounds / SCHEMBL13698779

SCHEMBL13698779

SCHEMBL13698779

Cc1cc(SC(F)(F)F)ccc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PTPRZ1 P23471 2/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ LMNA P02545 4/20 0.34
▸ GAA P10253 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HTR2B P41595 1/20 0.33

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
SCHEMBL26033274 0.81 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1TDP1PTPRZ1
SCHEMBL24987669 0.80 PDE2A (0.41) SMN1; SMN2KDM4EALDH1A1TDP1PTPRZ1
SCHEMBL28591917 0.78 ALDH1A1 (0.40) SMN1; SMN2KDM4EALDH1A1TDP1HPGD
SCHEMBL12828098 0.78 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1TDP1PTPRZ1
SCHEMBL12749931 0.76 ALDH1A1 (0.39) KDM4EALDH1A1TDP1HPGDLMNA
SCHEMBL900729 0.75 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1TDP1PTPRZ1
SCHEMBL16707555 0.75 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1TDP1PTPRZ1
SCHEMBL21225496 0.73 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1TDP1PTPRZ1
SCHEMBL29528601 0.73 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EALDH1A1TDP1PTPRZ1
SCHEMBL4157946 0.73 ALDH1A1 (0.52) SMN1; SMN2KDM4EALDH1A1TDP1PTPRZ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294243-B2 Bicyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-05-21 — — US disclosed
US-20170101422-A1 Bicyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-04-13 — — US disclosed
US-20170101422-A1 Bicyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-04-13 — — US disclosed
US-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-09-10 — — 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 (3 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-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD SMN1; SMN2 2454/4885KDM4E 3245/4885ALDH1A1 1551/4885
US-10294243-B2 Bicyclic compounds as pesticides DDT, BCHE, CYCS SMN1; SMN2 2508/4885KDM4E 2621/4885ALDH1A1 3066/4885
US-20170101422-A1 Bicyclic compounds as pesticides DDT, BCHE, CYCS SMN1; SMN2 2508/4885KDM4E 2621/4885ALDH1A1 3066/4885

“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.