SCHEMBL6281922

SCHEMBL6281922

CCCCCCc1ccc(C(=O)N2CC2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 9/20 0.60
SPHK2 Q9NRA0 3/20 0.59
THRA P10827 2/20 0.56
THRB P10828 2/20 0.56
RARB P10826 4/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RARA P10276 1/20 0.54
MAPT P10636 1/20 0.54
MTOR P42345 1/20 0.54
KMT2A Q03164 1/20 0.54
S1PR1 P21453 2/20 0.53
S1PR3 Q99500 2/20 0.53
S1PR4 O95977 1/20 0.53
S1PR5 Q9H228 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53

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
SCHEMBL6285151 0.94 SPHK1 (0.53) SPHK1SPHK2THRATHRBRARB
SCHEMBL6280443 0.88 PLK1 (0.49) SPHK1SPHK2THRBALDH1A1
SCHEMBL18978465 0.85 SPHK1 (0.70) SPHK1SPHK2THRATHRB
SCHEMBL18978575 0.85 SPHK1 (0.70) SPHK1SPHK2THRATHRB
SCHEMBL18978451 0.85 SPHK1 (0.70) SPHK1SPHK2THRATHRB
SCHEMBL13761356 0.79 GAA (0.64) SPHK1SPHK2
SCHEMBL6715256 0.79 HPGD (0.66) SPHK1SPHK2ALDH1A1MAPTKMT2A
SCHEMBL15935933 0.78 SPHK1 (0.67) SPHK1SPHK2MEN1KMT2A
SCHEMBL18978543 0.78 ALDH1A1 (0.62) SPHK1SPHK2THRATHRBRARB
Hydrochloric Acid SCHEMBL31267641 0.78 SPHK1 (0.51) SPHK1SPHK2THRATHRBS1PR1

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
US-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1027050-B1 1,3-THIAZOLES AS ADENOSINE A3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGY, ASTHMA AND DIABETES TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-14 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
US-6620825-B1 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-16 US disclosed
US-6436966-B1 Adenosine A3 receptor antagonists TAKEDA CHEMICAL IND., LTD. (JP) 2002-08-20 US disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed
EP-1027050-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-08-16 EP disclosed
WO-1999021555-A2 ADENOSINE A3 RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-06 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 SPHK1 381/4885SPHK2 445/4885THRA 2761/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 SPHK1 433/4885SPHK2 381/4885THRA 2613/4885

“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.