SCHEMBL1741664

SCHEMBL1741664

C=CCc1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.45
▸ KIF11 P52732 2/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ P4HB P07237 2/20 0.36
▸ AR P10275 6/20 0.36
▸ GABRA1 P14867 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ SLC22A12 Q96S37 2/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL1740006 0.84 TRPV4 (0.49) TRPV4KIF11MRGPRX4P4HBAR
SCHEMBL24146520 0.78 RXRA (0.50) TRPV4KIF11MRGPRX4P4HBAR
SCHEMBL2263818 0.78 TRPV4 (0.49) TRPV4KIF11MRGPRX4P4HBAR
SCHEMBL22193269 0.78 TRPV4 (0.53) TRPV4KIF11MRGPRX4P4HBAR
SCHEMBL10298852 0.78 TRPV4 (0.49) TRPV4KIF11MRGPRX4P4HBAR
SCHEMBL1037550 0.78 TRPV4 (0.49) TRPV4KIF11MRGPRX4P4HBAR
SCHEMBL7569957 0.77 TRPV4 (0.58) TRPV4KIF11MRGPRX4P4HBAR
SCHEMBL24177142 0.75 TRPV4 (0.50) TRPV4KIF11MRGPRX4ARPDK2
SCHEMBL19478936 0.75 TRPV4 (0.46) TRPV4KIF11MRGPRX4AR
SCHEMBL27737736 0.75 TRPV4 (0.46) TRPV4KIF11MRGPRX4P4HBAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 — — US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 — — US disclosed
EP-2390252-A1 New pyrazole derivatives Almirall, S.A. (ES) 2011-11-30 — — EP disclosed
EP-2390252-A1 New pyrazole derivatives Almirall, S.A. (ES) 2011-11-30 — — EP disclosed
WO-2011144338-A1 PYRAZOLE DERIVATIVES AS S1P1 AGONISTS ALMIRALL, S.A. (ES) 2011-11-24 — — WO disclosed
WO-2011144338-A1 PYRAZOLE DERIVATIVES AS S1P1 AGONISTS ALMIRALL, S.A. (ES) 2011-11-24 — — WO disclosed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 — — EP disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 — — 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 TRPV4 518/4885KIF11 2607/4885MRGPRX4 83/4885

“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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