SCHEMBL172998

SCHEMBL172998

Cc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
NR3C1 P04150 1/20 0.40
NOTUM Q6P988 1/20 0.40
ADCY8 P40145 1/20 0.40
ADCY1 Q08828 1/20 0.40
CHRM3 P20309 1/20 0.40
S1PR1 P21453 2/20 0.39
P2RX7 Q99572 3/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
HSD11B1 P28845 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
ACHE P22303 2/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL29561309 1.00 IDO1 (0.46) IDO1NR3C1NOTUMADCY8ADCY1
Carbamic Acid SCHEMBL11790168 0.87 TAS2R14 (0.44) IDO1NR3C1NOTUMADCY8ADCY1
SCHEMBL19903979 0.84 NR3C1 (0.42) IDO1NR3C1CHRM3ACHE
SCHEMBL26375379 0.83 NOTUM (0.46) NOTUMADCY8ADCY1S1PR1PDE3B
SCHEMBL10170297 0.81 NR3C1 (0.40) NR3C1CHRM3ACHE
SCHEMBL299182 0.81 IDO1 (0.41) IDO1P2RX7HSD11B1ACHETRPA1
SCHEMBL21346441 0.78 AR (0.50) ADCY8ADCY1
SCHEMBL5949403 0.78 NOTUM (0.53) NOTUMS1PR1TAS2R14PDE3BPDE3A
SCHEMBL30742957 0.78 NOTUM (0.53) NOTUMS1PR1TAS2R14PDE3BPDE3A
SCHEMBL30742956 0.78 NOTUM (0.53) NOTUMS1PR1TAS2R14PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183239-B1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-08-22 EP claimed
US-8153682-B2 Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA, NV (BE) 2012-04-10 US claimed
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-10-22 US claimed
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US claimed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 US claimed
EP-1732919-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2006-12-20 EP claimed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 US claimed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 WO claimed
US-6495540-B2 HEXAHYDROAZEPINE-2-ONE DERIVATIVE AS BETA-AMYLOID INHIBITOR BRISTOL - MYERS SQUIBB PHARMA COMPANY 2002-12-17 US claimed
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-24 US claimed
CN-114269756-B 4-Oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds that inhibit EIF4E 效应疗法股份有限公司 2024-05-14 CN disclosed
WO-2024050016-A1 COMPOSITIONS AND METHODS FOR TARGETED INHIBITION AND DEGRADATION OF PROTEINS IN AN INSECT CELL OERTH BIO LLC (US) 2024-03-07 WO disclosed
EP-4289846-A1 HETEROCYCLIC COMPOUND, AND INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2023-12-13 EP disclosed
WO-2022213204-A9 CARBOXAMIDE PYROLOPYRAZINE AND PYRIDINE COMPOUNDS USEFUL AS INHIBITORS OF MYT1 AND USE THEREOF IN THE TREATMENT OF CANCER REPARE THERAPEUTICS INC. (CA) 2023-11-16 WO disclosed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed
WO-2001072324-A1 LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-10-04 WO disclosed
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 WO disclosed
EP-0481317-B1 Method for dechlorination and/or debromination of aromatic compounds containing fluorine with chlorine and/or bromine BAYER AG (DE) 1995-08-09 EP disclosed
US-5283378-A Process for the dechlorination and/or debromination of fluorine-and chlorine- and/or bromine-containing aromatic compounds BAYER AKTIENGESELLSCHAFT (DE) 1994-02-01 US disclosed
EP-0481317-A2 Method for dechlorination and/or debromination of aromatic compounds containing fluorine with chlorine and/or bromine BAYER AG (DE) 1992-04-22 EP 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 (4 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-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma MALT1, AKT1, PIK3CA IDO1 3135/4885NR3C1 1879/4885NOTUM 970/4885
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES CYP3A5, ABCG2, ABCB1 IDO1 1747/4885NR3C1 1808/4885NOTUM 767/4885
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BACE1, APP, APH1A IDO1 2498/4885NR3C1 4799/4885NOTUM 300/4885
US-20090264474-A1 SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPM5, TRPM2 IDO1 4477/4885NR3C1 2769/4885NOTUM 4125/4885

“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.