Sugi Predict

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SCHEMBL1390237

SCHEMBL1390237

Cc1ccccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 4/20 0.50
▸ BRD4 O60885 3/20 0.39
▸ CREBBP Q92793 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MGAM O43451 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ SI P14410 2/20 0.36
▸ MGAM2 Q2M2H8 2/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ CTSA P10619 2/20 0.35
▸ RXRA P19793 1/20 0.34

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
SCHEMBL14892391 1.00 GPBAR1 (0.50) GPBAR1BRD4CREBBPMEN1KMT2A
SCHEMBL1390094 0.97 GPBAR1 (0.45) GPBAR1BRD4CREBBPMEN1KMT2A
SCHEMBL1390143 0.92 GPBAR1 (0.46) GPBAR1CREBBPMGAMGAASI
SCHEMBL14891644 0.91 BRD4 (0.45) GPBAR1BRD4CREBBPMEN1KMT2A
SCHEMBL14891642 0.91 BRD4 (0.45) GPBAR1BRD4CREBBPMEN1KMT2A
SCHEMBL369733 0.88 GPBAR1 (0.54) GPBAR1BRD4MEN1KMT2AMGAM
SCHEMBL369140 0.88 GPBAR1 (0.54) GPBAR1BRD4MEN1KMT2AMGAM
SCHEMBL369139 0.88 GPBAR1 (0.54) GPBAR1BRD4MEN1KMT2AMGAM
SCHEMBL1389804 0.88 GPBAR1 (0.64) GPBAR1BRD4CREBBPMEN1KMT2A
SCHEMBL1389586 0.88 GPBAR1 (0.64) GPBAR1BRD4CREBBPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150025110-A1 1-CYCLOALKYL- OR 1-HETEROCYCLYL-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2015-01-22 — — US disclosed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 — — EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 — — US disclosed
US-20130109718-A1 1-CYCLOALKYL- OR 1-HETEROCYCLYL-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN-LA ROCHE INC. (US) 2013-05-02 — — US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 — — US 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-20150025110-A1 1-CYCLOALKYL- OR 1-HETEROCYCLYL-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885BRD4 3270/4885CREBBP 2125/4885
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885BRD4 3540/4885CREBBP 2198/4885
US-20130109718-A1 1-CYCLOALKYL- OR 1-HETEROCYCLYL-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885BRD4 3270/4885CREBBP 2125/4885

“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.