SCHEMBL18559039

SCHEMBL18559039

CCC(=O)Nc1cc(NC(=O)CSc2nnc(C(C)C)n2CC)ccc1C

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.76
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ GLA P06280 1/20 0.59
▸ LMNA P02545 4/20 0.57
▸ TP53 P04637 1/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ POLB P06746 2/20 0.52
▸ RECQL P46063 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ PTGES O14684 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL18559209 0.87 TSHR (1.00) TSHRSMN1; SMN2GLALMNATP53
SCHEMBL6405909 0.83 SMN1; SMN2 (0.74) TSHRSMN1; SMN2GLALMNATP53
SCHEMBL18559294 0.81 TSHR (0.88) TSHRSMN1; SMN2GLALMNATP53
SCHEMBL18559194 0.79 TSHR (0.81) TSHRSMN1; SMN2GLALMNATP53
SCHEMBL18559212 0.78 L3MBTL1 (0.85) TSHRSMN1; SMN2GLALMNATP53
SCHEMBL16491233 0.74 SMN1; SMN2 (1.00) TSHRSMN1; SMN2GLALMNATP53
SCHEMBL12971593 0.74 POLB (0.58) TSHRSMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL15986564 0.74 TSHR (0.84) TSHRSMN1; SMN2GLALMNATP53
SCHEMBL22018993 0.71 TSHR (0.56) TSHRSMN1; SMN2GLALMNATP53
SCHEMBL13739721 0.70 ALDH1A1 (0.58) TSHRLMNANPC1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 — — US disclosed
US-20210219551-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2021-07-22 — — US disclosed
US-10813355-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2020-10-27 — — US disclosed
US-20190075798-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2019-03-14 — — US disclosed
US-10188105-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2019-01-29 — — US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 — — 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 (5 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-20230136150-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 TSHR 2971/4885SMN1; SMN2 4423/4885GLA 4600/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 TSHR 3088/4885SMN1; SMN2 4355/4885GLA 4672/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 TSHR 2971/4885SMN1; SMN2 4423/4885GLA 4600/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 TSHR 2976/4885SMN1; SMN2 4404/4885GLA 4687/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 TSHR 3088/4885SMN1; SMN2 4355/4885GLA 4672/4885

“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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