SCHEMBL10098972

SCHEMBL10098972

C=CCCCC1(S(C)(=O)=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL787742 0.84 CA2 (0.36) TSHRALDH1A1
SCHEMBL3036592 0.77 TSHR (0.34) TSHRALDH1A1
SCHEMBL2413342 0.77 TSHR (0.34) TSHRALDH1A1
SCHEMBL12709934 0.74
SCHEMBL10098995 0.72 FAAH (0.33) TSHR
SCHEMBL7819862 0.64
SCHEMBL22492555 0.63
SCHEMBL1607801 0.63 TSHR (0.44) TSHRALDH1A1
SCHEMBL1118529 0.63 TSHR (0.44) TSHRALDH1A1
SCHEMBL14351742 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20110082182-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2011-04-07 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 (2 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-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HDGF TSHR 4726/4885ALDH1A1 1469/4885
US-20110082182-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS TSHR 4339/4885ALDH1A1 3982/4885

“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.