SCHEMBL7229777

SCHEMBL7229777

COc1ccc(C(=O)OC(C(=O)c2ccc(F)cc2)c2ccncc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ POLB P06746 2/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.60
▸ ALDH1A1 P00352 4/20 0.52
▸ LMNA P02545 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ GAA P10253 3/20 0.47
▸ MAPK1 P28482 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ SLC6A9 P48067 1/20 0.40
▸ SLC6A5 Q9Y345 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
SCHEMBL7229213 0.96 MAPT (0.63) MAPTKMT2AMEN1POLBNPC1
SCHEMBL6222897 0.86 KMT2A (0.82) MAPTKMT2AMEN1POLBNPC1
SCHEMBL6707552 0.86 KMT2A (0.58) MAPTKMT2AMEN1POLBNPC1
SCHEMBL6709697 0.81 KMT2A (0.54) MAPTKMT2AMEN1POLBNPC1
SCHEMBL28068499 0.76 LMNA (0.60) MAPTKMT2AMEN1POLBNPC1
SCHEMBL8262647 0.76 MAPT (0.77) MAPTKMT2AMEN1POLBNPC1
SCHEMBL6203117 0.76 MAPT (0.69) MAPTKMT2AMEN1POLBNPC1
SCHEMBL6707553 0.75 NPSR1 (0.43) MAPTKMT2AMEN1POLBNPC1
SCHEMBL27907449 0.74 L3MBTL1 (0.53) MAPTKMT2AMEN1POLBNPC1
SCHEMBL5856026 0.74 CYP1A2 (0.53) MAPTKMT2AMEN1POLBNPC1

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-6645989-B2 Antiinflammatory agents SMITHKLINE BEECHAM CORPORATION 2003-11-11 — — US disclosed
US-20030064997-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2003-04-03 — — US disclosed
US-6268370-B1 CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-07-31 — — US disclosed
US-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 — — US disclosed
US-5686455-A Imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-11-11 — — US disclosed
EP-0623126-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-11-09 — — EP disclosed
WO-1993014081-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 — — 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-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 MAPT 431/4885KMT2A 2124/4885MEN1 3003/4885

“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.

Send feedback