SCHEMBL1706536

SCHEMBL1706536

O=S(=O)(c1ccccc1)c1ccc2c(c1F)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.44
HTR6 P50406 5/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CES1 P23141 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
PNMT P11086 1/20 0.36
NLRP3 Q96P20 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL315602 0.72 HTR6 (0.58) HTR6
SCHEMBL9848545 0.71 POLB (0.51) METAP2HTR6LMNANPSR1POLB
Hydrochloric Acid SCHEMBL316281 0.71 HTR6 (0.57) HTR6
Hydrochloric Acid SCHEMBL316280 0.71 HTR6 (0.57) HTR6
SCHEMBL6949262 0.69 NOS3 (0.49) METAP2HTR6HTR2BNLRP3NPSR1
SCHEMBL10909931 0.69 GAA (0.42) METAP2HTR6CA12CA1CA2
SCHEMBL1706010 0.68 HTR2C (0.73) HTR6CA12CA1CA2CA7
(Phenylsulfonyl)Benzene SCHEMBL11784548 0.68 HTR6 (0.64) HTR6CA12CA1CA2CA7
SCHEMBL10911225 0.68 POLB (0.51) HTR6NLRP3LMNANPSR1POLB
SCHEMBL10909934 0.68 GAA (0.41) METAP2HTR6HTR2BNLRP3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088837-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2012-04-12 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 (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-20120088837-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, RIF1, TTR METAP2 783/4885HTR6 1638/4885CA12 1955/4885

“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.