SCHEMBL6129269

SCHEMBL6129269

C[N]C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
FABP5 Q01469 3/20 0.50
FABP7 O15540 2/20 0.50
EPHX2 P34913 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CASP3 P42574 1/20 0.43
POLB P06746 1/20 0.42
HTR2A P28223 1/20 0.40

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
SCHEMBL8516375 0.86 KMT2A (0.54) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL14969483 0.84 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL7943600 0.83 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL16485222 0.83 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL17805715 0.83 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29609169 0.82 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29608029 0.81 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL410205 0.81 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL17703893 0.81 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL2744229 0.81 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153703-B Immunomodulator 百时美施贵宝公司 2022-09-23 CN disclosed
CN-107223129-B Immunomodulator 百时美施贵宝公司 2022-01-04 CN disclosed
CN-107207568-B Immunomodulator 百时美施贵宝公司 2021-12-10 CN disclosed
EP-3423470-B1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-08-18 EP disclosed
US-20200291069-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-09-17 US disclosed
EP-3692053-A1 IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2020-08-12 EP disclosed
CN-111051332-A Immunomodulator 百时美施贵宝公司 2020-04-21 CN disclosed
EP-3626732-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS Bristol-Myers Squibb Company (US) 2020-03-25 EP disclosed
EP-2970390-B1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2019-11-06 EP disclosed
US-10450347-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-22 US disclosed
WO-2014151634-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-25 WO disclosed
US-20050176649-A1 Iap binding peptides and assays for identifying compounds that bind iap NATIONAL INSTITUTES OF HEALTH 2005-08-11 US disclosed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP disclosed
US-20020183249-A1 Method of identifying inhibitors of CDC25 TAYLOR NEIL R (AU) 2002-12-05 US disclosed
WO-2002070680-A1 METHOD OF IDENTIFYING INHIBITORS OF CDC25 BASF AKTIENGESELLSCHAFT (DE) 2002-09-12 WO disclosed
EP-1226237-A2 METHOD OF IDENTIFYING INHIBITORS OF CDC25 BASF AKTIENGESELLSCHAFT (DE) 2002-07-31 EP disclosed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2001027077-A2 HYDROXYSULFONYLALKYLENE-, PHOSPHONOALKYLENE- OR DIFLUORO(PHOSPHONONON)METHYL- SUBSTITUTED BENZENE, OR BENZOFURAN DERIVATIVES AS NON-PEPTIDIC CDC25 INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-04-19 WO disclosed
WO-2001016300-A2 METHOD OF IDENTIFYING INHIBITORS OF CDC25 BASF AKTIENGESELLSCHAFT (DE) 2001-03-08 WO disclosed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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-20200291069-A1 IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 KMT2A 2957/4885FABP5 971/4885FABP7 1175/4885
US-20020183249-A1 Method of identifying inhibitors of CDC25 CDC25C, CDC25A, CDC25B KMT2A 4131/4885FABP5 1964/4885FABP7 3463/4885
US-10450347-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 KMT2A 2957/4885FABP5 971/4885FABP7 1175/4885
US-20050176649-A1 Iap binding peptides and assays for identifying compounds that bind iap BIRC8, BIRC2, XIAP KMT2A 4846/4885FABP5 649/4885FABP7 973/4885

“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.