SCHEMBL1107922

SCHEMBL1107922

CC(C)(C)c1cc2c(F)cccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
SLC9A1 P19634 5/20 0.41
STS P08842 1/20 0.40
ALDH1A1 P00352 5/20 0.40
POLB P06746 1/20 0.40
CHRNA7 P36544 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
PRNP P04156 1/20 0.33
RAB9A P51151 1/20 0.33
GPR3 P46089 1/20 0.33
RIPK1 Q13546 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL19604045 0.81 CA2 (0.39) MRGPRX1SLC9A1STSALDH1A1SMN1; SMN2
SCHEMBL26144289 0.81 PLAU (0.49) MRGPRX1L3MBTL1SLC9A1STSALDH1A1
SCHEMBL18858488 0.80 SLC9A1 (0.48) MRGPRX1L3MBTL1SLC9A1STSALDH1A1
SCHEMBL17342266 0.79 HDAC3 (0.50) MRGPRX1SLC9A1STSKDM4ELMNA
SCHEMBL12024991 0.79 CA2 (0.49) STSALDH1A1POLBSMN1; SMN2GAA
SCHEMBL19807312 0.77 SLC9A1 (0.41) SLC9A1RIPK1
SCHEMBL8493234 0.76 ALDH1A1 (0.59) L3MBTL1STSALDH1A1POLBSMN1; SMN2
SCHEMBL146453 0.74 ALDH1A1 (0.52) MRGPRX1L3MBTL1SLC9A1ALDH1A1POLB
SCHEMBL21341617 0.73 MRGPRX1 (0.35) MRGPRX1STS
SCHEMBL13143327 0.72 MRGPRX1 (0.38) MRGPRX1CHRNA7SMN1; SMN2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385037-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2019-08-20 US disclosed
US-20180155316-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2018-06-07 US disclosed
US-20180155316-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2018-06-07 US disclosed
US-9920027-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2018-03-20 US disclosed
US-RE46639-E1 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2017-12-19 US disclosed
US-20160024048-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2016-01-28 US disclosed
US-9181216-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2015-11-10 US disclosed
US-20140314752-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY SIGNAL PHARMACEUTICALS, LLC (US) 2014-10-23 US disclosed
US-20140073669-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2014-03-13 US disclosed
US-20120165536-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2012-06-28 US disclosed
US-8153659-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2012-04-10 US disclosed
US-20090004209-A1 4'-O- substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION 2009-01-01 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 (7 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-20140073669-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 MRGPRX1 2911/4885L3MBTL1 4427/4885SLC9A1 2893/4885
US-20140314752-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY MTOR, ULK1, RICTOR MRGPRX1 3540/4885L3MBTL1 2194/4885SLC9A1 3911/4885
US-20160024048-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 MRGPRX1 2911/4885L3MBTL1 4427/4885SLC9A1 2893/4885
US-20090004209-A1 4'-O- substituted isoindoline derivatives and compositions comprising and methods of using the same CYP3A4, CYP3A7, CYP4B1 MRGPRX1 2911/4885L3MBTL1 4427/4885SLC9A1 2893/4885
US-20120165536-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 MRGPRX1 2911/4885L3MBTL1 4427/4885SLC9A1 2893/4885
US-20180155316-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 MRGPRX1 2911/4885L3MBTL1 4427/4885SLC9A1 2893/4885
US-10385037-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CYP3A4, CYP3A7, CYP4B1 MRGPRX1 2945/4885L3MBTL1 4432/4885SLC9A1 2996/4885

“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.