SCHEMBL10000306

SCHEMBL10000306

O=C(O)CCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
LMNA P02545 3/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
GPR84 Q9NQS5 8/20 0.40
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
ALDH1A1 P00352 4/20 0.39
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
FABP4 P15090 2/20 0.39
ALOX15 P16050 2/20 0.39
PTPN1 P18031 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 2/20 0.39

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
SCHEMBL11791107 1.00 TSHR (0.46) TSHRLMNANFKB1PMP22GPR84
SCHEMBL7884128 1.00 TSHR (0.46) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1194865 1.00 TSHR (0.46) TSHRLMNANFKB1PMP22GPR84
SCHEMBL23788019 1.00 TSHR (0.46) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1608462 1.00 TSHR (0.46) TSHRLMNANFKB1PMP22GPR84
SCHEMBL23788184 1.00 TSHR (0.46) TSHRLMNANFKB1PMP22GPR84
SCHEMBL9449787 1.00 TSHR (0.46) TSHRLMNANFKB1PMP22GPR84
SCHEMBL8817428 0.98 LMNA (0.44) TSHRLMNANFKB1PMP22GPR84
SCHEMBL5679801 0.98 TSHR (0.48) TSHRLMNANFKB1PMP22GPR84
SCHEMBL8817917 0.96 LMNA (0.46) TSHRLMNANFKB1PMP22GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017216360-A1 METABOLICALLY STABLE SPEXIN PEPTIDE ANALOGS UNIVERSITÉ DE STRASBOURG (FR) 2017-12-21 WO disclosed
WO-2017216359-A1 METABOLICALLY STABLE PEPTIDE ANALOGS UNIVERSITÉ DE STRASBOURG (FR) 2017-12-21 WO disclosed
EP-3257863-A1 FLOUROUS METABOLICALLY STABLE PEPTIDE ANALOGS Université de Strasbourg (FR) 2017-12-20 EP disclosed
US-20170355734-A1 Metabolically Stable Apelin Analogs in the Treatment of Disease Mediated by the Apelin Receptor UNIVERSITE DE STRASBOURG (FR) 2017-12-14 US disclosed
EP-1740207-B1 ANTIGEN DELIVERY VECTORS AND CONSTRUCTS IMMUNE TARGETING SYSTEMS ITS LTD (GB) 2012-12-19 EP disclosed
US-8110540-B2 Antigen delivery vectors and constructs IMMUNE TARGETING SYSTEMS LTD. (GB) 2012-02-07 US disclosed
US-8110541-B2 Antigen delivery vectors and constructs IMMUNE TARGETING SYSTEMS LTD. (GB) 2012-02-07 US disclosed
US-20100183708-A1 Antigen Delivery Vectors and Constructs IMMUNE TARGETING SYSTEMS LTD. 2010-07-22 US disclosed
US-20100183650-A1 Antigen Delivery Vectors and Constructs IMMUNE TARGETING SYSTEMS LTD. 2010-07-22 US disclosed
US-7687455-B2 comprising fluorocarbon vector-antigen, immunogens; vaccines, immunotherapy IMMUNE TARGETING SYSTEMS LTD. (GB) 2010-03-30 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-20100183650-A1 Antigen Delivery Vectors and Constructs LY96, CD74, CD69 TSHR 3438/4885LMNA 4002/4885NFKB1 681/4885
US-20170355734-A1 Metabolically Stable Apelin Analogs in the Treatment of Disease Mediated by the Apelin Receptor APLNR, AVPR2, AVPR1A TSHR 297/4885LMNA 2310/4885NFKB1 2735/4885
US-20100183708-A1 Antigen Delivery Vectors and Constructs LY96, CD74, CD69 TSHR 3438/4885LMNA 4002/4885NFKB1 681/4885

“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.