SCHEMBL19002225

SCHEMBL19002225

CCn1c(C(C)C)nc2cc(S(N)(=O)=O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.58
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 2/20 0.51
GAA P10253 1/20 0.51
S1PR1 P21453 5/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 3/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ALOX5AP P20292 1/20 0.48
PTGER4 P35408 1/20 0.47
AAK1 Q2M2I8 1/20 0.46
TSHR P16473 1/20 0.46
GNRHR P30968 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL19002224 0.82 SMN1; SMN2 (0.69) CNR2ALDH1A1CYP1A2GAALMNA
SCHEMBL18997335 0.78 CNR2 (0.58) CNR2ALDH1A1CYP1A2GAALMNA
SCHEMBL21730494 0.77 NLRP3 (0.57) CNR2CYP1A2GAALMNAAAK1
SCHEMBL23222181 0.76 ALDH1A1 (0.50) CNR2ALDH1A1CYP1A2GAALMNA
SCHEMBL18250273 0.71 LMNA (0.67) ALDH1A1CYP1A2GAAS1PR1LMNA
SCHEMBL11561130 0.71 GAA (0.78) CNR2ALDH1A1CYP1A2GAALMNA
SCHEMBL23676499 0.69 CYP11B2 (0.48) CNR2S1PR1LMNAHTTAAK1
SCHEMBL9127426 0.69 ALDH1A1 (0.57) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL11561647 0.69 SMN1; SMN2 (0.71) CNR2ALDH1A1CYP1A2GAALMNA
SCHEMBL3728185 0.68 CA1 (0.71) ALDH1A1CYP1A2GAALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 US disclosed
US-10221191-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC 2019-03-05 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (4 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-10221191-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 CNR2 2903/4885ALDH1A1 2765/4885CYP1A2 4411/4885
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 CNR2 2711/4885ALDH1A1 2861/4885CYP1A2 3616/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 CNR2 2903/4885ALDH1A1 2765/4885CYP1A2 4411/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 CNR2 2903/4885ALDH1A1 2765/4885CYP1A2 4411/4885

“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.