SCHEMBL17479507

SCHEMBL17479507

C=C(OCC)c1cccc(C(=O)OC)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
CDC25B P30305 1/20 0.41
LMNA P02545 3/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HSD17B10 Q99714 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CFTR P13569 1/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 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
SCHEMBL31438554 1.00 TSHR (0.46) TSHRTDP1TP53HTTNPSR1
SCHEMBL31438508 0.83 TSHR (0.43) TSHRTDP1TP53HTTNPSR1
SCHEMBL19138136 0.82 TSHR (0.45) TSHRTDP1TP53HTTNPSR1
SCHEMBL1401560 0.82 TSHR (0.57) TSHRHTTNPSR1ALDH1A1KDM4E
SCHEMBL7467330 0.80 TSHR (0.70) TSHRTDP1TP53HTTNPSR1
SCHEMBL29183380 0.78 TSHR (0.44) TSHRTDP1NPSR1ALDH1A1KDM4E
SCHEMBL30251605 0.78 CA12 (0.44) TSHRTDP1TP53HTTNPSR1
SCHEMBL10281224 0.76 SMN1; SMN2 (0.40) TSHRTDP1TP53HTTNPSR1
SCHEMBL24529118 0.76 MRGPRX4 (0.51) TSHRHTTALDH1A1KDM4ELMNA
SCHEMBL30280757 0.76 MRGPRX4 (0.51) TSHRHTTALDH1A1KDM4ELMNA

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
EP-3180317-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2021-04-14 EP disclosed
US-9868727-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-16 US disclosed
US-20170210732-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-27 US disclosed
EP-3180317-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-06-21 EP disclosed
WO-2016015593-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-02-04 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 (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-20170210732-A1 Factor XIa Inhibitors F11, SERPINC1, TFPI TSHR 3448/4885TDP1 2917/4885TP53 4565/4885

“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.