SCHEMBL976929

SCHEMBL976929

COCCn1c(-c2ccccc2)cc2cc(C(=O)O)ccc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 9/20 0.53
ALDH1A1 P00352 1/20 0.51
ACLY P53396 1/20 0.50
HCAR3 P49019 1/20 0.49
GRIK1 P39086 1/20 0.49
GRIK2 Q13002 1/20 0.49
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47

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
SCHEMBL978319 0.90 PTGER4 (0.51) PTGER4ALDH1A1ACLYGRIK1GRIK2
SCHEMBL22004128 0.84 GRIK1 (0.60) PTGER4ALDH1A1ACLYGRIK1GRIK2
SCHEMBL11554185 0.81 ALDH1A1 (0.48) PTGER4ALDH1A1ACLYMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL11561092 0.81 ALDH1A1 (0.47) PTGER4ALDH1A1ACLYMTNR1AMTNR1B
SCHEMBL11656014 0.81 ALDH1A1 (0.61) ALDH1A1GRIK1GRIK2MTNR1AMTNR1B
SCHEMBL30943184 0.80 ALDH1A1 (0.53) PTGER4ALDH1A1GRIK1GRIK2MTNR1A
SCHEMBL2126643 0.80 ALDH1A1 (0.53) PTGER4ALDH1A1GRIK1GRIK2MTNR1A
SCHEMBL979383 0.80 PTGER4 (0.49) PTGER4
SCHEMBL2123821 0.78 CYP19A1 (0.67) ALDH1A1GRIK1GRIK2
SCHEMBL30943220 0.78 CYP19A1 (0.67) ALDH1A1GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1402882-B9 Acid-containing tooth desensitising material IVOCLAR VIVADENT AG (LI) 2010-09-01 EP claimed
EP-1402882-B1 Acid-containing tooth desensitising material IVOCLAR VIVADENT AG (LI) 2010-03-03 EP claimed
EP-4143250-A1 AQUEOUS DISPERSION OF POLY(ESTER-URETHANE) OR OF POLY(ESTER-URETHANE-UREA) ARKEMA FRANCE (FR) 2023-03-08 EP disclosed
WO-2021219760-A1 AQUEOUS DISPERSION OF POLY(ESTER-URETHANE) OR OF POLY(ESTER-URETHANE-UREA) ARKEMA FRANCE (FR) 2021-11-04 WO 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
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
CN-101910121-A Bis (sulfonylamino) derivatives 066 in therapy ASTRAZENECA AB 2010-12-08 CN 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

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 PTGER4 6/4885ALDH1A1 122/4885ACLY 1384/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 PTGER4 16/4885ALDH1A1 85/4885ACLY 1555/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 PTGER4 16/4885ALDH1A1 85/4885ACLY 1555/4885

“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.