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Sugi Predict / Compounds / SCHEMBL2761976

SCHEMBL2761976

SCHEMBL2761976

C[C@H](NC(=O)c1c(O)c2c(OC3CCCCC3)cccc2oc1=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ VKORC1 Q9BQB6 2/20 0.36
▸ NQO1 P15559 1/20 0.35

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
SCHEMBL2761975 1.00 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL2761741 0.82 LMNA (0.41) ALDH1A1MEN1KMT2AITGB1LMNA
SCHEMBL2761742 0.82 LMNA (0.41) ALDH1A1MEN1KMT2AITGB1LMNA
SCHEMBL2761902 0.82 MEN1 (0.44) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2761752 0.82 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL2761690 0.80 MAOB (0.48) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2761689 0.80 MAOB (0.48) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2761671 0.76 ABCG2 (0.44) ALDH1A1MAOB
SCHEMBL2761691 0.76 ABCG2 (0.43) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL2761672 0.76 ABCG2 (0.44) ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324405-B2 Chromene derivatives and use thereof as HIF hydroxylase activity inhibitors FIBROGEN, INC. (US) 2012-12-04 — — US claimed
US-20100331400-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS FIBROGEN, INC. 2010-12-30 — — US claimed
WO-2009100250-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS FIBROGEN, INC. (US) 2009-08-13 — — WO claimed
US-8324405-B2 Chromene derivatives and use thereof as HIF hydroxylase activity inhibitors FIBROGEN, INC. (US) 2012-12-04 — — US disclosed
US-20100331400-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS FIBROGEN, INC. 2010-12-30 — — US disclosed
WO-2009100250-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS FIBROGEN, INC. (US) 2009-08-13 — — 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 (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-20100331400-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS HIF1AN, HIF1A, EGLN2 PDE4A 2301/4885PDE4B 2551/4885PDE4C 3154/4885

“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.