SCHEMBL13948877

SCHEMBL13948877

COC(=O)c1ccc(C)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 4/20 0.51
▸ NOTUM Q6P988 2/20 0.47
▸ NR4A2 P43354 2/20 0.46
▸ CYP46A1 Q9Y6A2 1/20 0.45
▸ MAPT P10636 4/20 0.45
▸ TP53 P04637 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ PDK4 Q16654 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CES2 O00748 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ ALOX12 P18054 1/20 0.42

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
SCHEMBL18159377 0.86 CYP46A1 (0.53) CFTRNOTUMNR4A2CYP46A1MAPT
SCHEMBL27972781 0.85 CES2 (0.42) CFTRNOTUMMAPTTP53RAB9A
SCHEMBL25950764 0.84 NR4A2 (0.47) CFTRNR4A2CYP46A1MAPTTDP1
SCHEMBL14860095 0.83 CES2 (0.41) CFTRNOTUMMAPTTP53RAB9A
SCHEMBL1940800 0.83 CA12 (0.61) CFTRNOTUMMAPTSMN1; SMN2CA12
SCHEMBL2002005 0.83 CFTR (0.69) CFTRNOTUMMAPTCA12CA1
SCHEMBL10861732 0.83 NOTUM (0.64) CFTRNOTUMMAPTSMN1; SMN2CA12
SCHEMBL695717 0.83 CFTR (0.51) CFTRNOTUMMAPTRAB9ASMN1; SMN2
SCHEMBL16723454 0.82 ALDH1A1 (0.48) MAPTTP53RAB9ASMN1; SMN2CA12
SCHEMBL107636 0.82 CSNK2A1 (0.52) NOTUMMAPTTP53RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151501-A1 NOVEL IMIDAZOPYRIMIDINE COMPOUND AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2024-07-18 — — WO disclosed
WO-2024151501-A1 NOVEL IMIDAZOPYRIMIDINE COMPOUND AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2024-07-18 — — WO disclosed
CN-118239926-A TLR7 and 8 inhibitors, preparation method and application thereof 上海深势唯思科技有限责任公司 2024-06-25 — — CN disclosed
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2022-02-17 — — US disclosed
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2020-11-12 — — US disclosed
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2019-01-31 — — US disclosed
WO-2018081285-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-05-03 — — WO disclosed
US-9951022-B2 Method for producing 4,4,7-trifluoro-1,2,3,4-tetrahydro-5H-1-benzazepine compound and intermediate used in the method TACURION (US) 2018-04-24 — — US disclosed
EP-2928890-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-02-28 — — EP disclosed
EP-2833889-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2017-11-01 — — EP disclosed
WO-2013175053-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2013-11-28 — — WO disclosed
WO-2013152198-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2013-10-10 — — WO disclosed
CN-101098870-B Novel fused imidazole derivative BANYU PHARMA CO LTD 2010-11-03 — — CN disclosed
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 — — EP disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 — — US disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 — — US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 — — US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 — — US disclosed
CN-101098870-A Novel fused imidazole derivative BANYU PHARMA CO LTD (JP) 2008-01-02 — — CN disclosed
WO-2007000550-A2 NOVEL INDOLINE COMPOUNDS LABORATOIRES FOURNIER S.A. (FR) 2007-01-04 — — 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 (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-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT CFTR 3100/4885NOTUM 487/4885NR4A2 2622/4885
US-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 CFTR 4038/4885NOTUM 1464/4885NR4A2 470/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT CFTR 3100/4885NOTUM 487/4885NR4A2 2622/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT CFTR 3100/4885NOTUM 487/4885NR4A2 2622/4885

“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.

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