SCHEMBL20856190

SCHEMBL20856190

Cc1ccc(S(=O)(=O)OCCCCN)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CA1 P00915 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ PSMD10 O75832 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP24A1 Q07973 2/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ F2 P00734 3/20 0.40
▸ P2RY12 Q9H244 1/20 0.40
▸ G6PD P11413 1/20 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
SCHEMBL14146858 0.98 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19CA1
SCHEMBL8343815 0.98 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19CA1
SCHEMBL20261700 0.98 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19CA1
SCHEMBL7535395 0.98 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19CA1
SCHEMBL30573752 0.98 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19CA1
SCHEMBL1687895 0.95 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19CA1
Hydrochloric Acid SCHEMBL28969274 0.93 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19CA1
SCHEMBL890725 0.91 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19CA1
SCHEMBL8483813 0.89 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19CA1
SCHEMBL11050599 0.89 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19CA1

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-20230302162-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2023-09-28 — — US disclosed
US-11583596-B2 Radiolabeled Darapladib and analogs thereof and their use as imaging compounds INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2023-02-21 — — US disclosed
EP-3687980-B1 RADIOLABELED DARAPLADIB, ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INST NAT SANTE RECH MED (FR) 2022-01-19 — — EP disclosed
US-20200276337-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2020-09-03 — — US disclosed
EP-3687980-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS Institut National de la Sante et de la Recherche Medicale (INSERM) (FR) 2020-08-05 — — EP disclosed
WO-2019063634-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-04-04 — — 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-11583596-B2 Radiolabeled Darapladib and analogs thereof and their use as imaging compounds PLA2G4B, PLA2G1B, PLA2G12B ALDH1A1 1616/4885CYP3A4 4428/4885CYP2C9 4581/4885
US-20230302162-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS PLA2G4B, PLA2G1B, PLA2G12B ALDH1A1 1616/4885CYP3A4 4428/4885CYP2C9 4581/4885
US-20200276337-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS PLA2G4B, PLA2G1B, PLA2G12B ALDH1A1 1616/4885CYP3A4 4428/4885CYP2C9 4581/4885

“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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