SCHEMBL16645245

SCHEMBL16645245

COC(=O)C(Cc1c[nH]c2cc(OC)ccc12)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
TACR1 P25103 2/20 0.61
LMNA P02545 1/20 0.61
NMBR P28336 2/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
PPARG P37231 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
HCRTR1 O43613 1/20 0.52
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52
SCN9A Q15858 1/20 0.51
CA2 P00918 1/20 0.51
LNPEP Q9UIQ6 1/20 0.51

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
SCHEMBL17938406 1.00 MAPT (0.61) MAPTTACR1LMNANMBRGAA
SCHEMBL22108941 0.93 PPARG (0.62) MAPTTACR1LMNANMBRGAA
SCHEMBL22109027 0.93 PPARG (0.62) MAPTTACR1LMNANMBRGAA
SCHEMBL31204209 0.88 MAPT (0.58) MAPTTACR1LMNANMBRGAA
SCHEMBL16645287 0.88 MAPT (0.62) MAPTTACR1LMNANMBRGAA
SCHEMBL17938398 0.88 MAPT (0.62) MAPTTACR1LMNANMBRGAA
SCHEMBL29401413 0.88 NMBR (0.73) MAPTTACR1LMNANMBRGAA
SCHEMBL1318661 0.88 NMBR (0.73) MAPTTACR1LMNANMBRGAA
SCHEMBL17319524 0.88 NMBR (0.73) MAPTTACR1LMNANMBRGAA
SCHEMBL7433854 0.86 KMT2A (0.66) MAPTTACR1LMNANMBRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695174-B2 Inhibitor of breast cancer resistance protein (BCRP) MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-9695174-B2 Inhibitor of breast cancer resistance protein (BCRP) MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-9695174-B2 Inhibitor of breast cancer resistance protein (BCRP) MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20160214984-A1 INHIBITOR OF BREAST CANCER RESISTANCE PROTEIN (BCRP) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-28 US disclosed
US-20160214984-A1 INHIBITOR OF BREAST CANCER RESISTANCE PROTEIN (BCRP) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-28 US disclosed
US-20160214984-A1 INHIBITOR OF BREAST CANCER RESISTANCE PROTEIN (BCRP) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-28 US disclosed
WO-2015054132-A1 INHIBITOR OF BREAST CANCER RESISTANCE PROTEIN (BCRP) MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-16 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 (1 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-20160214984-A1 INHIBITOR OF BREAST CANCER RESISTANCE PROTEIN (BCRP) BRCA1, ABCC1, IMPA1 MAPT 3799/4885TACR1 1681/4885LMNA 4679/4885

“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.