SCHEMBL6952122

SCHEMBL6952122

CC(C)c1cc(CC(=O)O)cc(C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
THRB P10828 9/20 0.44
THRA P10827 8/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
AKR1B1 P15121 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 2/20 0.41
RGS12 O14924 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
GNAI1 P63096 1/20 0.41

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
SCHEMBL101014 0.88 KDM4E (0.41) FABP3FABP4THRBTHRAKDM4E
SCHEMBL22774294 0.87 ADRB2 (0.42) FABP3FABP4THRBTHRAUSP5
SCHEMBL12683626 0.84 FABP3 (0.42) FABP3FABP4KDM4EGAAHIF1A
SCHEMBL29467098 0.82 RXRA (0.50) ALDH1A1AGBL2RXRA
SCHEMBL22773914 0.82 RXRA (0.50) ALDH1A1AGBL2RXRA
SCHEMBL22774257 0.81 FABP3 (0.39) FABP3FABP4THRBTHRAKDM4E
SCHEMBL1261429 0.80 AKR1B1 (0.52) THRBTHRAKDM4EMAPTHPGD
SCHEMBL13547446 0.79 NAPRT (0.44) FABP3FABP4THRBTHRAKDM4E
SCHEMBL909093 0.78 CA2 (0.56) HPGDHSD17B10AKR1B1ALDH1A1GAA
Hydrochloric Acid SCHEMBL2527629 0.77 CA2 (0.54) HPGDHSD17B10AKR1B1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267300-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2022-08-25 US disclosed
US-20220267300-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2022-08-25 US disclosed
CN-114761383-A Sulfonamide derivatives and uses thereof 诺瑟拉有限公司 2022-07-15 CN disclosed
EP-3983388-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF Nodthera Limited (GB) 2022-04-20 EP disclosed
WO-2020249669-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2020-12-17 WO disclosed
WO-2020249669-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2020-12-17 WO disclosed
US-6506750-B1 N-(phenylacetyl)morpholine derivatives useful as NK1 receptor antagonists, a process for the preparation thereof, and pharmaceutical compositions containing them as active principle. SANOFI-SYNTHELABO (FR) 2003-01-14 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-20220267300-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF IL1B, IL1A, CASP1 FABP3 4421/4885FABP4 3668/4885THRB 3675/4885

“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.