SCHEMBL29316045

SCHEMBL29316045

O=C(c1ccccc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HTT P42858 1/20 0.59
LMNA P02545 3/20 0.57
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
FKBP1A P62942 3/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
RAB9A P51151 1/20 0.55
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
PKM P14618 1/20 0.53
GHSR Q92847 3/20 0.52
USP2 O75604 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL29317054 1.00 ALDH1A1 (0.59) ALDH1A1HTTLMNAMAPTNPSR1
SCHEMBL1385016 0.86 ALDH1A1 (0.72) ALDH1A1HTTLMNAMAPTNPSR1
SCHEMBL2977278 0.86 ALDH1A1 (0.72) ALDH1A1HTTLMNAMAPTNPSR1
SCHEMBL16220553 0.84 ALDH1A1 (0.64) ALDH1A1HTTLMNAMAPTNPSR1
SCHEMBL8718942 0.84 LMNA (0.58) ALDH1A1HTTLMNAMAPTNPSR1
SCHEMBL8268325 0.84 ALDH1A1 (0.64) ALDH1A1HTTLMNAMAPTNPSR1
SCHEMBL23519421 0.81 ALDH1A1 (0.65) ALDH1A1HTTLMNAMAPTNPSR1
SCHEMBL6997 0.81 ALDH1A1 (0.65) ALDH1A1HTTLMNAMAPTNPSR1
SCHEMBL6996 0.81 ALDH1A1 (0.65) ALDH1A1HTTLMNAMAPTNPSR1
SCHEMBL31086821 0.81 MMP2 (0.78) ALDH1A1LMNAMAPTNPSR1FKBP1A

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-20240239805-A1 AZA-YANG CYCLIZATION-BUCHNER AROMATIC RING EXPANSION: COLLECTIVE SYNTHESIS OF CYCLOHEPTATRIENE-CONTAINING AZETIDINE LACTONES UNIVERSITY OF KANSAS 2024-07-18 US disclosed
US-20240239805-A1 AZA-YANG CYCLIZATION-BUCHNER AROMATIC RING EXPANSION: COLLECTIVE SYNTHESIS OF CYCLOHEPTATRIENE-CONTAINING AZETIDINE LACTONES UNIVERSITY OF KANSAS 2024-07-18 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-20240239805-A1 AZA-YANG CYCLIZATION-BUCHNER AROMATIC RING EXPANSION: COLLECTIVE SYNTHESIS OF CYCLOHEPTATRIENE-CONTAINING AZETIDINE LACTONES AZI2, NISCH, TET2 ALDH1A1 1283/4885HTT 1123/4885LMNA 4831/4885

“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.