SCHEMBL14667166

SCHEMBL14667166

CC(C)(C)Cc1ccccc1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.43
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A2 P23975 1/20 0.40
CTSB P07858 1/20 0.37
LOX P28300 1/20 0.37
BCAT2 O15382 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA1D P25100 3/20 0.35
MPO P05164 1/20 0.35
NR3C1 P04150 1/20 0.35
P2RX7 Q99572 2/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL23344785 0.82 CTSB (0.38) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5590959 0.82 MYC (0.46) RIPK1CYP1A2CYP2D6CTSB
SCHEMBL31564881 0.82 MYC (0.46) RIPK1CYP1A2CYP2D6CTSB
SCHEMBL2024322 0.80 CTSB (0.53) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11592651 0.80 SLC6A2 (0.39) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2043251 0.78 MEN1 (0.42) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28216423 0.77 KMT2A (0.40) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL647187 0.77 MEN1 (0.41) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2376290 0.77 MEN1 (0.41) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3412099 0.77 MEN1 (0.44) MEN1CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 US disclosed
US-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 US disclosed
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-03-07 US disclosed
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2013-01-31 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 (5 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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN5A, SCN2A RIPK1 4013/4885MEN1 3155/4885CYP1A2 3404/4885
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors MTOR, PIK3CA, CDK2 RIPK1 670/4885MEN1 1180/4885CYP1A2 923/4885
US-20190071404-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 RIPK1 486/4885MEN1 1298/4885CYP1A2 2573/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 RIPK1 486/4885MEN1 1298/4885CYP1A2 2573/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 RIPK1 486/4885MEN1 1298/4885CYP1A2 2573/4885

“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.