SCHEMBL12883121

SCHEMBL12883121

Cc1cc(OC(F)(F)F)ccc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.48
PLA2G1B P04054 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
KDM4E B2RXH2 3/20 0.44
CARM1 Q86X55 1/20 0.44
GPR3 P46089 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
CETP P11597 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
FKBP1A P62942 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL20656657 0.86 PDE2A (0.46) PDE2APLA2G1BTDP1ATG4BGPR3
SCHEMBL13220714 0.85 PDE2A (0.50) PDE2AGPR3LMNAGAACYP1A2
SCHEMBL29240168 0.84 PDE2A (0.43) PDE2AKDM4EGPR3HRH4LMNA
SCHEMBL28140062 0.82 PDE2A (0.42) PDE2AGPR3HRH4LMNAGAA
SCHEMBL24910322 0.81 PDE2A (0.48) PDE2AGPR3ALDH1A1
SCHEMBL12883103 0.81 PDE2A (0.63) PDE2AGPR3ALDH1A1
SCHEMBL12883131 0.81 TDP1 (0.48) PLA2G1BTDP1ATG4BKDM4ECARM1
SCHEMBL19440243 0.80 CETP (0.39) PDE2APLA2G1BTDP1ATG4BCARM1
SCHEMBL24910284 0.80 PDE2A (0.47) PDE2AKDM4EGPR3ALDH1A1
SCHEMBL24683277 0.80 PDE2A (0.47) PDE2AGPR3HRH4LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023288253-A1 SMALL MOLECULES INHIBITORS OF CYCLIC GMP-AMP SYNTHASE (CGAS) THE SCRIPPS RESEARCH INSTITUTE (US) 2023-01-19 WO disclosed
WO-2022129281-A1 NITROGEN CONTAINING 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-06-23 WO disclosed
WO-2022129283-A1 CHEMICAL COMPOUNDS USEFUL FOR INHIBITING NAV1.8 VOLTAGE-GATED SODIUM CHANNELS AND TREATING NAV1.8 MEDIATED DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-06-23 WO disclosed
US-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY 2021-06-24 US disclosed
US-20200179357-A1 TRPA1 ANTAGONISTS FOR TREATMENT OF DRY EYE, OCULAR PAIN AND INFLAMMATION ALGOMEDIX INC (US) 2020-06-11 US disclosed
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 US disclosed
US-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 US disclosed
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20150005322-A1 PYRIDO[3,4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-01-01 US disclosed
US-7893085-B2 3-(4-Bromo-2-fluoro-phenylamino)-thieno[3,2-c]pyridine-2-carboxylic acid (2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-amide; mitogen activated protein extracellular kinase kinase (MEK) inhibitor; antiproliferative, antiinflammatory agent GENENTECH, INC (US) 2011-02-22 US disclosed
US-7855216-B2 Aza-indolyl compounds and methods of use GENENTECH, INC. (US) 2010-12-21 US disclosed
US-7834004-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2010-11-16 US disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-10-22 US disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use GENENTECH, INC. 2008-04-03 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 (10 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-20080081821-A1 AZA-benzothiophenyl compounds and methods of use MKI67, CDKN1A, MAP3K1 PDE2A 883/4885PLA2G1B 2676/4885TDP1 569/4885
US-20150005322-A1 PYRIDO[3,4-B] INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 PDE2A 2268/4885PLA2G1B 492/4885TDP1 1371/4885
US-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 PDE2A 883/4885PLA2G1B 378/4885TDP1 1583/4885
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE CDKN1A, MKI67, CCNI PDE2A 704/4885PLA2G1B 2334/4885TDP1 974/4885
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 PDE2A 1736/4885PLA2G1B 2027/4885TDP1 2129/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A PDE2A 973/4885PLA2G1B 770/4885TDP1 1911/4885
US-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKA, DGKZ, DGKK PDE2A 2004/4885PLA2G1B 1277/4885TDP1 2211/4885
US-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 PDE2A 883/4885PLA2G1B 378/4885TDP1 1583/4885
US-20200179357-A1 TRPA1 ANTAGONISTS FOR TREATMENT OF DRY EYE, OCULAR PAIN AND INFLAMMATION TRPA1, TRPV1, TRPV2 PDE2A 1022/4885PLA2G1B 566/4885TDP1 2833/4885
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD PDE2A 933/4885PLA2G1B 983/4885TDP1 3653/4885

“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.