SCHEMBL6285151

SCHEMBL6285151

CCCCc1ccc(C(=O)N2CC2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 9/20 0.53
SPHK2 Q9NRA0 3/20 0.52
RARB P10826 1/20 0.51
PLK1 P53350 1/20 0.51
THRA P10827 2/20 0.50
THRB P10828 2/20 0.50
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP8 P22894 2/20 0.49
MMP13 P45452 2/20 0.49
AVPR2 P30518 1/20 0.49
OXTR P30559 1/20 0.49
AVPR1A P37288 1/20 0.49
PLA2G2A P14555 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL6281922 0.94 SPHK1 (0.60) SPHK1SPHK2RARBTHRATHRB
SCHEMBL6280443 0.90 PLK1 (0.49) SPHK1SPHK2PLK1THRBAVPR2
SCHEMBL13761356 0.84 GAA (0.64) SPHK1SPHK2AVPR2OXTRAVPR1A
SCHEMBL6276573 0.83 ALDH1A1 (0.50) PLK1PLA2G2AALDH1A1HPGD
SCHEMBL18978465 0.79 SPHK1 (0.70) SPHK1SPHK2THRATHRBHPGD
SCHEMBL18978575 0.79 SPHK1 (0.70) SPHK1SPHK2THRATHRBHPGD
SCHEMBL18978451 0.79 SPHK1 (0.70) SPHK1SPHK2THRATHRBHPGD
SCHEMBL13950912 0.74 RARB (0.67) RARBPLK1THRATHRBALDH1A1
SCHEMBL1404028 0.74 RARB (0.67) RARBPLK1THRATHRBALDH1A1
SCHEMBL2564366 0.74 RARB (0.67) RARBPLK1THRATHRBALDH1A1

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 445/4885RARB 885/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 SPHK1 433/4885SPHK2 381/4885RARB 1931/4885

“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.