SCHEMBL410306

SCHEMBL410306

CC(C)(C)N(C(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL4041835 0.97 ALDH1A1 (0.37) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL15208490 0.82 ALDH1A1 (0.38) TSHRALDH1A1
Hydrochloric Acid SCHEMBL11686332 0.82 ALDH1A1 (0.32) TSHRALDH1A1FFAR3LCKFYN
SCHEMBL3035945 0.78
SCHEMBL2552626 0.76 HDAC6 (0.35)
SCHEMBL2517858 0.76 TSHR (0.35) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL15312738 0.74
SCHEMBL5394152 0.74
SCHEMBL286191 0.74 LMNA (0.32)
SCHEMBL345565 0.73 TSHR (0.42) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023097194-A2 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-06-01 WO disclosed
EP-3990455-A1 PROCESSES FOR PREPARING TOLL-LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-05-04 EP disclosed
WO-2020264081-A1 PROCESSES FOR PREPARING TOLL-LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2020-12-30 WO disclosed
EP-3271368-B1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2018-10-31 EP disclosed
EP-3271368-A1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2018-01-24 EP disclosed
WO-2017121969-A1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2017-07-20 WO disclosed
EP-3119796-A1 SYNTHESIS OF BICYCLIC NUCLEOSIDES Miragen Therapeutics, Inc. (US) 2017-01-25 EP disclosed
WO-2015142735-A1 SYNTHESIS OF BICYCLIC NUCLEOSIDES MiRagen Therapeutics, Inc. (US) 2015-09-24 WO disclosed
US-9028785-B2 High CO2 to amine adsorption capacity CO2 scrubbing processes EXXONMOBIL RESEACH AND ENGINEERING COMPANY (US) 2015-05-12 US disclosed
EP-2614042-A1 PROCESS FOR THE DIRECT AMINATION OF SECONDARY ALCOHOLS WITH AMMONIA TO GIVE PRIMARY AMINES Evonik Degussa GmbH (DE) 2013-07-17 EP disclosed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US disclosed
US-6673818-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS ARTHRITIS, PAIN, FEVER AND CANCER PHARMACIA CORPORATION 2004-01-06 US disclosed
WO-2003103599-A2 CASPASE-1 INHIBITORS AND METHODS FOR THEIR USE SUNESIS PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-08-07 US disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-02-13 US disclosed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US disclosed
EP-1251126-A2 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation Pharmacia Corporation (US) 2002-10-23 EP disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 WO 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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, FPR1, PTGES2 TSHR 3132/4885ALDH1A1 263/4885HMGCR 2459/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 TSHR 2894/4885ALDH1A1 434/4885HMGCR 2593/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 TSHR 2894/4885ALDH1A1 434/4885HMGCR 2593/4885

“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.