SCHEMBL5812852

SCHEMBL5812852

CC(C)(C)OC(=O)Nc1cccc(C(=O)O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.49
▸ CASR P41180 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CXCR2 P25025 1/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ BRD9 Q9H8M2 1/20 0.42
▸ ALB P02768 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ METAP1 P53582 1/20 0.41

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
SCHEMBL29324602 0.88 RXFP1 (0.52) KDM4EALDH1A1LMNASMN1; SMN2RXFP1
SCHEMBL222446 0.86 RXFP1 (0.55) KDM4ELMNASMN1; SMN2RXFP1BRD9
SCHEMBL29702265 0.86 RXFP1 (0.55) KDM4ELMNASMN1; SMN2RXFP1BRD9
SCHEMBL3248129 0.85 NPC1 (0.54) KDM4EALDH1A1LMNASMN1; SMN2RXFP1
SCHEMBL8652549 0.84 KDM4E (0.56) KDM4EALDH1A1LMNASMN1; SMN2CASR
SCHEMBL6183442 0.84 PDK1 (0.59) LMNARXFP1HPGDMAPK1BRD9
SCHEMBL14877164 0.84 RXFP1 (0.48) KDM4ELMNARXFP1HSD17B10BRD9
SCHEMBL29324603 0.83 RXFP1 (0.46) KDM4EALDH1A1LMNASMN1; SMN2RXFP1
SCHEMBL7607973 0.82 CASR (0.52) ALDH1A1LMNASMN1; SMN2RXFP1CASR
SCHEMBL8651106 0.81 ATR (0.47) KDM4EALDH1A1LMNARXFP1ALOX15

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
EP-2705036-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC. (US) 2014-03-12 — — EP disclosed
EP-2705035-A1 TRICYCLIC PYRAZOLE SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen, Inc. (US) 2014-03-12 — — EP disclosed
WO-2012154678-A1 TRICYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-11-15 — — WO disclosed
WO-2012154679-A1 TRICYCLIC PYRAZOLE SULFONAMIDE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-11-15 — — WO disclosed
WO-2006125293-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2006-11-30 — — WO disclosed
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 — — US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 — — 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC KDM4E 3106/4885ALDH1A1 287/4885LMNA 2406/4885

“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.

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