SCHEMBL1095116

SCHEMBL1095116

CC1(C)OB(c2cc(F)ccc2O)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.47
LIPG Q9Y5X9 4/20 0.47
CA9 Q16790 4/20 0.36
CA3 P07451 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CXCR2 P25025 3/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
PDE3A Q14432 1/20 0.35
HIF1A Q16665 2/20 0.32
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
JAK2 O60674 2/20 0.32
BTK Q06187 2/20 0.32

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
SCHEMBL28961806 0.86 LPL (0.47) LPLLIPGCA9CA3CA6
SCHEMBL31114767 0.86 LPL (0.47) LPLLIPGCA9CA3CA6
SCHEMBL14274295 0.81 LPL (0.50) LPLLIPGCA9CA3CA6
SCHEMBL772615 0.80 LPL (0.49) LPLLIPGCA9CA3CA6
SCHEMBL16472112 0.80 LPL (0.49) LPLLIPGCXCR2IDO1TDO2
SCHEMBL1753525 0.80 TRPA1 (0.43) LPLLIPGCA9CA3CA6
SCHEMBL29395754 0.80 LPL (0.49) LPLLIPGCA9CA3CA6
SCHEMBL2821738 0.79 CA1 (0.37) LPLLIPGCA9CA3CA6
SCHEMBL2101542 0.79 HSD17B10 (0.41) LPLLIPGIDO1CA1CA2
SCHEMBL16426112 0.79 ALOX15 (0.41) LPLLIPGCA9CA3CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117730081-A Substituted spirocyclic derivatives 詹森药业有限公司 2024-03-19 CN disclosed
WO-2024046221-A1 EGFR INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2024-03-07 WO disclosed
WO-2022237627-A1 SUBSTITUTED SPIRO DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2022-11-17 WO disclosed
EP-3898621-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2021-10-27 EP disclosed
CN-113227087-A Macrocyclic compounds and their use in the treatment of disease 诺华股份有限公司 2021-08-06 CN disclosed
WO-2020128925-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2020-06-25 WO disclosed
EP-3334741-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-06-20 EP disclosed
WO-2017025913-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-02-16 WO disclosed
EP-3107917-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2016-12-28 EP disclosed
WO-2015126376-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
US-8040476-B2 Display device and method of producing the same MITSUBISHI ELECTRIC CORPORATION (JP) 2011-10-18 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 WO disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 WO disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 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-20100197655-A1 SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, TPST2 LPL 4247/4885LIPG 4502/4885CA9 1021/4885
US-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 LPL 1943/4885LIPG 1716/4885CA9 484/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 LPL 1943/4885LIPG 1716/4885CA9 484/4885

“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.