SCHEMBL5750813

SCHEMBL5750813

O=C(CCCc1cccs1)NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 3/20 0.41
HPGD P15428 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
RAB9A P51151 3/20 0.37
UGCG Q16739 1/20 0.37
NPC1 O15118 2/20 0.37
NAMPT P43490 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5751792 0.86 LMNA (0.49) SMN1; SMN2LMNAUGCGTSHR
SCHEMBL5755551 0.86 LMNA (0.49) SMN1; SMN2LMNAUGCGTSHR
SCHEMBL5751263 0.83 LMNA (0.46) LMNAUGCGTSHR
SCHEMBL5753673 0.82 FFAR2 (0.52) LMNAUGCGTSHR
SCHEMBL5752050 0.82 SMN1; SMN2 (0.46) SMN1; SMN2LMNAPOLBHPGDTRPV1
SCHEMBL5751577 0.82 RAB9A (0.39) SMN1; SMN2LMNATRPV1RAB9ANPC1
SCHEMBL5753708 0.82 NOS3 (0.43) SMN1; SMN2LMNAUGCGHTT
SCHEMBL5752870 0.81 CYP1A2 (0.48) SMN1; SMN2LMNARAB9ANPC1MAPT
SCHEMBL5751360 0.78 NOS3 (0.42) SMN1; SMN2LMNAUGCGHTT
SCHEMBL5752879 0.78 LMNA (0.56) SMN1; SMN2LMNAHPGDTRPV1RAB9A

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-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP SMN1; SMN2 4771/4885LMNA 2989/4885POLB 4680/4885

“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.