SCHEMBL3852987

SCHEMBL3852987

CC(C)(C)c1ccc(S(C)(C)Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
TSHR P16473 2/20 0.46
HSD11B1 P28845 1/20 0.46
LMNA P02545 3/20 0.44
TYR P14679 1/20 0.44
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
GMNN O75496 1/20 0.40
DRD1 P21728 1/20 0.40
DRD3 P35462 1/20 0.40
CCR2 P41597 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
Fluoride SCHEMBL915073 0.98 ALDH1A1 (0.50) ALDH1A1TSHRHSD11B1LMNATYR
SCHEMBL18783136 0.79 ALDH1A1 (0.56) ALDH1A1TSHRHSD11B1LMNATYR
SCHEMBL12404911 0.79 ALDH1A1 (0.56) ALDH1A1TSHRHSD11B1LMNATYR
SCHEMBL19743180 0.79 ALDH1A1 (0.56) ALDH1A1TSHRHSD11B1LMNATYR
SCHEMBL66108 0.78 ALDH1A1 (0.61) ALDH1A1TSHRHSD11B1LMNAGAA
SCHEMBL20718605 0.76 ALDH1A1 (0.58) ALDH1A1TSHRHSD11B1LMNATYR
SCHEMBL1107981 0.75 ALDH1A1 (0.64) ALDH1A1TSHRHSD11B1LMNAGAA
SCHEMBL13220215 0.75 ALDH1A1 (0.57) ALDH1A1TSHRHSD11B1LMNAGAA
SCHEMBL424728 0.74 TSHR (0.73) ALDH1A1TSHRLMNATYRMAPT
SCHEMBL19743211 0.73 KIF11 (0.52) ALDH1A1TSHRHSD11B1LMNATYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203924-A1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM&T RESEARCH, INC. (US) 2009-08-13 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-20090203924-A1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS PFAS, FRS2, FBL ALDH1A1 2581/4885TSHR 952/4885HSD11B1 4403/4885

“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.