SCHEMBL3550344

SCHEMBL3550344

CC(C)c1ccc(S(=O)(=O)NN)c(C(C)C)c1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC9A1 P19634 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SLC9A2 Q9UBY0 1/20 0.31
HPGD P15428 1/20 0.31
GAA P10253 3/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.30
GBA1 P04062 1/20 0.30

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
SCHEMBL9660151 0.80 ACHE (0.41) ACHEALDH1A1SMN1; SMN2SLC9A1L3MBTL1
SCHEMBL3925075 0.79 CA1 (0.39) ACHEALDH1A1SLC9A1L3MBTL1SLC9A2
SCHEMBL971368 0.77 L3MBTL1 (0.32) ALDH1A1SLC9A1L3MBTL1SLC9A2HPGD
SCHEMBL10980384 0.76 L3MBTL1 (0.32) ALDH1A1SLC9A1L3MBTL1SLC9A2HPGD
SCHEMBL30010765 0.76 TRPV4 (0.38) ALDH1A1SLC9A1L3MBTL1SLC9A2HPGD
SCHEMBL216708 0.76 TRPV4 (0.38) ALDH1A1SLC9A1L3MBTL1SLC9A2HPGD
SCHEMBL719443 0.76 FABP3 (0.41) ACHEALDH1A1SLC9A1L3MBTL1SLC9A2
SCHEMBL9425114 0.75 SLC9A1 (0.31) SLC9A1SLC9A2
SCHEMBL10435622 0.74 L3MBTL1 (0.31) L3MBTL1
Hydrochloric Acid SCHEMBL1005423 0.74 FABP3 (0.40) SLC9A1L3MBTL1SLC9A2HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725562-B2 Modified diene polymer, method for producing same, rubber composition, and pneumatic tire TOYO TIRE & RUBBER CO., LTD. (JP) 2017-08-08 US disclosed
US-20150353690-A1 MODIFIED DIENE POLYMER, METHOD FOR PRODUCING SAME, RUBBER COMPOSITION, AND PNEUMATIC TIRE TOYO TIRE & RUBBER CO., LTD. (JP) 2015-12-10 US disclosed
US-7645782-B2 Thia-epothilone derivatives for the treatment of cancer Richter, Wolfgang (DE) 2010-01-12 US disclosed
EP-1567524-B1 THIA-EPOTHILONE DERIVATIVES FOR THE TREATMENT OF CANCER RICHTER WOLFGANG (DE) 2009-07-22 EP disclosed
US-7553859-B2 Macrocycles for the treatment of cancer Richter, Wolfgang (DE) 2009-06-30 US disclosed
EP-1521752-B1 MACROCYCLES FOR THE TREATMENT OF CANCER BIOTECHNOLOG FORSCHUNG GMBH (DE) 2009-02-25 EP disclosed
US-20060128966-A1 Thia-epothilone derivatives for the treatment of cancer MORPHONCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2006-06-15 US disclosed
US-20060004065-A1 Novel macrocycles for the treatment of cancer WOLFGANG RICHTER (DE) 2006-01-05 US disclosed
EP-1567524-A1 THIA-EPOTHILONE DERIVATIVES FOR THE TREATMENT OF CANCER Richter, Wolfgang (DE) 2005-08-31 EP disclosed
EP-1521752-A1 NOVEL MACROCYCLES FOR THE TREATMENT OF CANCER Gesellschaft fur Biotechnologische Forschung mbH (gbf) (DE) 2005-04-13 EP disclosed
WO-2004048372-A1 THIA-EPOTHILONE DERIVATIVES FOR THE TREATMENT OF CANCER MORPHOCHEM AG KOMB CHEMIE (DE) 2004-06-10 WO disclosed
WO-2004007492-A1 NOVEL MACROCYCLES FOR THE TREATMENT OF CANCER GESELLSCHAFT FUER BIOTECHNOLGISCHE FORSCHUNG MBH (GBF) (DE) 2004-01-22 WO disclosed
US-4826844-A ANTIDEPRESSANT, ANXIOLYTIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1989-05-02 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 (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-20060128966-A1 Thia-epothilone derivatives for the treatment of cancer TTPA, THPO, TERT ACHE 4819/4885ALDH1A1 190/4885SMN1; SMN2 3924/4885
US-20060004065-A1 Novel macrocycles for the treatment of cancer CCNI, CCNB1, CCNC ACHE 4816/4885ALDH1A1 1428/4885SMN1; SMN2 3320/4885

“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.