Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072939

SCHEMBL10072939

SCHEMBL10072939

O=S(=O)(c1n[nH]c2ncccc12)N1CCC(O)(c2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ CCR1 P32246 1/20 0.42
▸ PKLR P30613 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HSD11B1 P28845 3/20 0.40
▸ DRD4 P21917 5/20 0.39
▸ DRD2 P14416 4/20 0.39
▸ DRD3 P35462 4/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 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
SCHEMBL10072895 0.90 POLB (0.47) LMNAPKLRALDH1A1POLBHSD11B1
SCHEMBL10072897 0.78 COMT (0.49) LMNAALDH1A1SMN1; SMN2OPRM1OPRK1
SCHEMBL10072905 0.77 KDM4E (0.50) LMNAALDH1A1SMN1; SMN2OPRM1OPRK1
SCHEMBL10072891 0.72 DRD2 (0.42) DRD4DRD2DRD3
SCHEMBL10072932 0.72 NAMPT (0.47) LMNAALDH1A1POLBSMN1; SMN2GAA
SCHEMBL10072940 0.71 COMT (0.39) —
SCHEMBL10072903 0.70 ROCK2 (0.41) LMNAHSD11B1CDK9
SCHEMBL10072929 0.70 KDM4E (0.48) ALDH1A1POLBGAAL3MBTL1
SCHEMBL12243395 0.70 GRM4 (0.39) —
SCHEMBL10073452 0.69 VNN1 (0.38) CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445681-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-21 — — US disclosed
EP-2514751-A1 Azaindazoles useful as inhibitor of kinases Vertex Pharmaceuticals, Inc. (US) 2012-10-24 — — EP disclosed
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-28 — — US disclosed
US-8017781-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 — — US disclosed
US-8017781-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 — — US disclosed
US-20070179177-A1 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — US disclosed
US-20070179177-A1 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — US disclosed
WO-2007059219-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-24 — — 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-20070179177-A1 Azaindazoles useful as inhibitors of kinases PRKDC, MAP3K20, PRKACA LMNA 3403/4885CCR1 3652/4885PKLR 1376/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA LMNA 3403/4885CCR1 3652/4885PKLR 1376/4885

“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.