SCHEMBL6540909

SCHEMBL6540909

CCOC(=O)c1cccc(S(=O)(=O)c2cccc(CCNCc3ccccc3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 5/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
AKR1C3 P42330 3/20 0.48
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
NAMPT P43490 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.45
ABL1 P00519 1/20 0.44
MAPK1 P28482 1/20 0.44
RIN1 Q13671 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL6540180 0.94 SMN1; SMN2 (0.55) SMN1; SMN2MAPTLMNAHPGDCYP4F2
SCHEMBL6540593 0.93 SMN1; SMN2 (0.59) SMN1; SMN2MAPTCA2CA1NAMPT
SCHEMBL6679332 0.86 SMN1; SMN2 (0.49) SMN1; SMN2MAPTLMNAHPGDAKR1C3
SCHEMBL6541100 0.83 SMN1; SMN2 (0.68) SMN1; SMN2MAPTCA2CA1NAMPT
SCHEMBL6679601 0.83 CA2 (0.48) SMN1; SMN2MAPTCYP4F2CYP4A11CA2
SCHEMBL6680443 0.81 SMN1; SMN2 (0.54) SMN1; SMN2MAPTAKR1C3CA2CA1
SCHEMBL6540140 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLMNACA2CA1
SCHEMBL3172281 0.80 CYP4F2 (0.56) SMN1; SMN2MAPTLMNAHPGDCYP4F2
SCHEMBL6539474 0.79 SMN1; SMN2 (0.52) SMN1; SMN2MAPTLMNACA2CA1
Hydrochloric Acid SCHEMBL6539984 0.78 ADRB3 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 SMN1; SMN2 2146/4885MAPT 4502/4885LMNA 3736/4885

“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.