SCHEMBL10188583

SCHEMBL10188583

NNC(=O)[C@H]1CCC[C@H](Oc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.44
▸ FFAR4 Q5NUL3 11/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ FURIN P09958 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ HPGD P15428 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
SCHEMBL10188580 0.83 FFAR4 (0.52) PARP10FFAR4FURIN
SCHEMBL2476884 0.82 GAA (0.47) PARP10FFAR4ALDH1A1EPHX2NPC1
SCHEMBL2475966 0.82 GAA (0.47) PARP10FFAR4ALDH1A1EPHX2NPC1
SCHEMBL2475964 0.82 GAA (0.47) PARP10FFAR4ALDH1A1EPHX2NPC1
SCHEMBL6932018 0.78 FFAR4 (0.49) PARP10FFAR4EPHX2NPC1PKM
SCHEMBL16112493 0.78 KDM1A (0.49) FFAR4EPHX2PKM
SCHEMBL601209 0.77 BTK (0.42) FFAR4LOXL2NPC1RAB9A
SCHEMBL10188582 0.75 TSHR (0.47) FFAR4ALDH1A1NPC1RAB9A
SCHEMBL25280257 0.74 ALDH1A1 (0.48) PARP10FFAR4ALDH1A1EPHX2RAB9A
SCHEMBL20837271 0.73 DPP4 (0.41) NPC1RAB9ASMN1; SMN2HPGD

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-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 — — US disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 — — US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 — — US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 — — US disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 — — 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-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 PARP10 3840/4885FFAR4 4424/4885LOXL2 2614/4885

“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.

Send feedback