SCHEMBL270810

SCHEMBL270810

CC(C)(C)c1ccc(N2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
HSD11B1 P28845 2/20 0.45
MAPT P10636 1/20 0.43
S1PR1 P21453 3/20 0.41
KDR P35968 1/20 0.40
SRPK2 P78362 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
SRPK3 Q9UPE1 1/20 0.40
PHGDH O43175 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL14200003 0.88 CYP2C9 (0.41) MAPT
SCHEMBL12139619 0.86 ASIC3 (0.51) HSD11B1SRPK1PHGDHPDE3BPDE3A
SCHEMBL10202701 0.84 NPY2R (0.46) NOTUMHSD11B1
SCHEMBL12139639 0.84 ALDH1A1 (0.56) NOTUMMAPTS1PR1PDE3BPDE3A
SCHEMBL270687 0.84 HTR3A (0.46) NOTUMHSD11B1MAPT
SCHEMBL12139606 0.82 CHRM1 (0.48) HSD11B1MAPTPHGDH
SCHEMBL13419179 0.80 NOTUM (0.50) NOTUMHSD11B1MAPTS1PR1PDE3B
SCHEMBL270539 0.80 NPY2R (0.47) NOTUMHSD11B1MAPTPHGDH
SCHEMBL17708166 0.78 LMNA (0.39) NOTUMHSD11B1MAPTPHGDHPDE3B
SCHEMBL25678510 0.78 HTR2C (0.40) NOTUMHSD11B1PHGDHPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889706-B2 Soluble mTOR complexes and modulators thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-18 US disclosed
US-20130072485-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-03-21 US disclosed
US-8394818-B2 Soluble mTOR complexes and modulators thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-03-12 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2011-11-24 US disclosed
US-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 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-20130072485-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR NOTUM 4139/4885HSD11B1 2995/4885MAPT 3750/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 NOTUM 2904/4885HSD11B1 4742/4885MAPT 3127/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B NOTUM 4553/4885HSD11B1 2370/4885MAPT 4485/4885
US-20110288091-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR NOTUM 4139/4885HSD11B1 2995/4885MAPT 3750/4885

“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.