SCHEMBL21114756

SCHEMBL21114756

NC(=O)OCCCCC(N)C(=O)N(Cc1cccs1)Cc1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.45
▸ POLB P06746 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TRPM8 Q7Z2W7 7/20 0.40
▸ LMNA P02545 2/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37
▸ MC4R P32245 1/20 0.37
▸ MC5R P33032 1/20 0.37

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
SCHEMBL21114755 1.00 TSHR (0.45) TSHRPOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL21114801 0.84 TSHR (0.42) TSHRPOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL21114800 0.84 TSHR (0.42) TSHRPOLBL3MBTL1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6121689 0.83 TSHR (0.41) TSHRPOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6122175 0.81 POLB (0.47) TSHRPOLBALDH1A1SMN1; SMN2TDP1
SCHEMBL6122884 0.81 POLB (0.47) TSHRPOLBALDH1A1SMN1; SMN2TDP1
SCHEMBL6123150 0.81 POLB (0.47) TSHRPOLBALDH1A1SMN1; SMN2TDP1
SCHEMBL6122234 0.79 ALDH1A1 (0.40) TSHRPOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL28820428 0.79 POLB (0.58) TSHRPOLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6123009 0.79 POLB (0.45) TSHRPOLBALDH1A1SMN1; SMN2TDP1

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-20190210992-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE (US) 2019-07-11 — — 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-20190210992-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 TSHR 430/4885POLB 4239/4885L3MBTL1 1634/4885

“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.

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