SCHEMBL15420645

SCHEMBL15420645

N[C@H]1CCC(F)(F)C[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.43
SLC6A12 P48065 1/20 0.41
SLC6A11 P48066 1/20 0.41
GRM4 Q14833 6/20 0.38
CYP2C19 P33261 4/20 0.38
CYP1A2 P05177 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
GRM8 O00222 2/20 0.38
GRM6 O15303 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GRM2 Q14416 2/20 0.37
GRM3 Q14832 2/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL10704175 0.81 SLC6A12 (0.45) GABRR1SLC6A12SLC6A11GRM4CYP2C19
Hydrochloric Acid SCHEMBL9114738 0.79 GABRR1 (0.46) GABRR1SLC6A12SLC6A11GRM4CYP2C19
Hydrochloric Acid SCHEMBL9114735 0.79 GABRR1 (0.46) GABRR1SLC6A12SLC6A11GRM4CYP2C19
Hydrochloric Acid SCHEMBL9114725 0.79 GABRR1 (0.46) GABRR1SLC6A12SLC6A11GRM4CYP2C19
SCHEMBL19917125 0.78 KCNQ3 (0.38) SLC6A12SLC6A11GRM4CYP2C19CYP1A2
SCHEMBL17803111 0.76 SLC6A12 (0.41) SLC6A12SLC6A11GRM4CYP2C19CYP1A2
SCHEMBL19756870 0.76 SLC6A12 (0.41) SLC6A12SLC6A11GRM4CYP2C19CYP1A2
SCHEMBL17814235 0.76 SLC6A12 (0.41) SLC6A12SLC6A11GRM4CYP2C19CYP1A2
SCHEMBL16635714 0.74 SLC6A12 (0.40) GABRR1SLC6A12SLC6A11GRM4CYP2C19
SCHEMBL1770299 0.74 MAPT (0.35) CYP2C19ALDH1A1CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 GABRR1 214/4885SLC6A12 443/4885SLC6A11 69/4885

“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.