SCHEMBL21800599

SCHEMBL21800599

NCC1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
ALDH1A1 P00352 4/20 0.57
YAP1 P46937 1/20 0.53
TEAD4 Q15561 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 3/20 0.51
USP2 O75604 1/20 0.50
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
GPR183 P32249 1/20 0.47

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
SCHEMBL5949555 0.81 TSHR (0.61) TSHRALDH1A1YAP1TEAD4RECQL
SCHEMBL5949547 0.81 TSHR (0.61) TSHRALDH1A1YAP1TEAD4RECQL
SCHEMBL4892974 0.79 USP2 (0.62) TSHRALDH1A1YAP1TEAD4RECQL
SCHEMBL4815957 0.78 USP2 (0.78) TSHRALDH1A1YAP1TEAD4RECQL
SCHEMBL7356750 0.78 USP2 (0.78) TSHRALDH1A1YAP1TEAD4RECQL
SCHEMBL18864777 0.78 TSHR (0.71) TSHRALDH1A1YAP1TEAD4KMT2A
SCHEMBL7222883 0.78 TSHR (0.71) TSHRALDH1A1YAP1TEAD4KMT2A
SCHEMBL21593709 0.77 TSHR (0.69) TSHRALDH1A1YAP1TEAD4KMT2A
SCHEMBL30047393 0.77 TSHR (0.69) TSHRALDH1A1YAP1TEAD4KMT2A
SCHEMBL8223285 0.75 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1GAA

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-20200087258-A1 INHIBITOR OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY ETERNYGEN GMBH (DE) 2020-03-19 US disclosed
US-20200087258-A1 INHIBITOR OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY ETERNYGEN GMBH (DE) 2020-03-19 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-20200087258-A1 INHIBITOR OF CITRATE TRANSPORTER AND THEIR USE IN THERAPY CS, SLC2A1, SLC2A2 TSHR 900/4885ALDH1A1 737/4885YAP1 2208/4885

“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.