SCHEMBL19520583

SCHEMBL19520583

CCn1c(SCC(=O)Nc2nnc(-c3ccc(S(C)(=O)=O)cc3)s2)nnc1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ TSHR P16473 3/20 0.57
▸ ALDH1A1 P00352 5/20 0.54
▸ TP53 P04637 2/20 0.53
▸ KMT2A Q03164 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ RECQL P46063 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ LMNA P02545 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ USP2 O75604 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 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
SCHEMBL19520578 0.89 TSHR (0.60) SMN1; SMN2TSHRALDH1A1TP53KMT2A
SCHEMBL19520406 0.87 TSHR (0.66) SMN1; SMN2TSHRALDH1A1TP53KMT2A
SCHEMBL19520575 0.85 SMN1; SMN2 (0.57) SMN1; SMN2TSHRALDH1A1TP53KMT2A
SCHEMBL19520385 0.85 L3MBTL1 (0.62) SMN1; SMN2TSHRALDH1A1TP53KMT2A
SCHEMBL17725590 0.84 ALDH1A1 (0.64) SMN1; SMN2TSHRALDH1A1TP53KMT2A
SCHEMBL17725671 0.84 ALDH1A1 (0.64) SMN1; SMN2TSHRALDH1A1TP53KMT2A
SCHEMBL19520352 0.84 KMT2A (0.57) SMN1; SMN2TSHRALDH1A1TP53KMT2A
SCHEMBL24021605 0.83 TSHR (0.83) SMN1; SMN2TSHRALDH1A1KMT2ALMNA
SCHEMBL19520409 0.82 SMN1; SMN2 (0.54) SMN1; SMN2TSHRALDH1A1TP53KMT2A
SCHEMBL24021623 0.82 TSHR (0.60) SMN1; SMN2TSHRALDH1A1TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3448853-B1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2021-11-17 — — EP claimed
US-10730865-B2 Compounds for modulating aquaporins APOGLYX AB (SE) 2020-08-04 — — US claimed
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2019-05-02 — — US claimed
WO-2017186893-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2017-11-02 — — WO claimed
EP-3448853-B1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2021-11-17 — — EP disclosed
US-10730865-B2 Compounds for modulating aquaporins APOGLYX AB (SE) 2020-08-04 — — US disclosed
US-10730865-B2 Compounds for modulating aquaporins APOGLYX AB (SE) 2020-08-04 — — US disclosed
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2019-05-02 — — US disclosed
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2019-05-02 — — US disclosed
WO-2017186893-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2017-11-02 — — WO disclosed
WO-2017186893-A1 COMPOUNDS FOR MODULATING AQUAPORINS APOGLYX AB (SE) 2017-11-02 — — 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 (2 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-10730865-B2 Compounds for modulating aquaporins AQP1, AQP4, AQP3 SMN1; SMN2 4791/4885TSHR 3510/4885ALDH1A1 1917/4885
US-20190127360-A1 COMPOUNDS FOR MODULATING AQUAPORINS AQP1, AQP4, AQP3 SMN1; SMN2 4791/4885TSHR 3510/4885ALDH1A1 1917/4885

“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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