SCHEMBL977779

SCHEMBL977779

CC(C)(C)c1cc2cc(C(=O)O)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RARB P10826 2/20 0.43
RARG P13631 2/20 0.43
TBXAS1 P24557 1/20 0.43
KDM4E B2RXH2 1/20 0.41
RARA P10276 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PIM1 P11309 2/20 0.40
TTR P02766 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 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
SCHEMBL979646 0.89 TP53 (0.48) TP53RARBRARGTBXAS1KDM4E
SCHEMBL28320126 0.87 TP53 (0.47) TP53RAB9ASMN1; SMN2RARBRARG
SCHEMBL21297072 0.85 HDAC6 (0.38) TP53NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL979384 0.84 TP53 (0.45) TP53RAB9ASMN1; SMN2RARBRARG
SCHEMBL23051194 0.84 KDM4E (0.45) TP53NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL981580 0.83 TP53 (0.52) TP53NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12882254 0.80 ALOX15 (0.56) TP53NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL566569 0.77 TP53 (0.52) TP53NPC1RAB9ASMN1; SMN2TBXAS1
SCHEMBL12640272 0.75 ALDH1A1 (0.41) TP53NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7410565 0.75 PIM1 (0.66) TP53NPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
EP-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
EP-0858454-B1 COMBINATORIAL SOLID PHASE SYNTHESIS OF A LIBRARY OF BENZOFURAN DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-06-20 EP disclosed
US-5919955-A IMMOBILIZATION ON SUPPORT; DEPROTECTING; REACTING WITH ACETYLENIC COMPOUND; CLEAVAGE FROM SUPPORT PHARMACIA & UPJOHN S.P.A. (IT) 1999-07-06 US disclosed
EP-0858454-A1 COMBINATORIAL SOLID PHASE SYNTHESIS OF A LIBRARY OF BENZOFURAN DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1998-08-19 EP disclosed
WO-1997044338-A1 COMBINATORIAL SOLID PHASE SYNTHESIS OF A LIBRARY OF BENZOFURAN DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-11-27 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 (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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 TP53 2963/4885NPC1 2125/4885RAB9A 3173/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 TP53 2337/4885NPC1 1899/4885RAB9A 3336/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 TP53 2337/4885NPC1 1899/4885RAB9A 3336/4885

“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.