SCHEMBL2225520

SCHEMBL2225520

CC1(C)CCC(C)(C)c2cc(C(=O)NN)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.62
RARG P13631 10/20 0.62
RARA P10276 8/20 0.62
CYP26A1 O43174 7/20 0.62
CYP3A4 P08684 5/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
CYP2C19 P33261 1/20 0.62
CYP26B1 Q9NR63 4/20 0.59
RXRA P19793 9/20 0.58
RXRB P28702 8/20 0.58
RXRG P48443 6/20 0.58
PGR P06401 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
TBXA2R P21731 1/20 0.55

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
SCHEMBL13407891 0.85 RARB (0.64) RARBRARGRARACYP26A1CYP3A4
SCHEMBL10246895 0.85 RARB (0.64) RARBRARGRARACYP26A1CYP3A4
SCHEMBL19072651 0.83 CYP3A4 (0.63) RARBRARGRARACYP26A1CYP3A4
SCHEMBL2195010 0.81 RXRA (0.63) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8733241 0.80 RARB (0.83) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9189898 0.80 CYP3A4 (0.59) RARBRARGRARACYP26A1CYP3A4
Hydrazine SCHEMBL9430381 0.79 RARB (0.76) RARBRARGRARACYP26A1CYP3A4
SCHEMBL846110 0.79 RARB (0.81) RARBRARGRARACYP26A1CYP3A4
SCHEMBL29827631 0.79 RARB (0.81) RARBRARGRARACYP26A1CYP3A4
SCHEMBL2195224 0.79 RXRA (0.66) RARBRARGRARACYP26A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
EP-2513066-A1 SPHINGOSINE KINASE INHIBITORS Merck Patent GmbH (DE) 2012-10-24 EP disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 WO disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 WO disclosed
US-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2010-03-04 US disclosed
EP-2102162-A1 PHENYLIC DERIVATIVES AND USE THEREOF AS DRUGS IPSEN PHARMA S.A.S. (FR) 2009-09-23 EP disclosed
WO-2008059128-A1 PHENYLIC DERIVATIVES AND USE THEREOF AS DRUGS IPSEN PHARMA S.A.S. (FR) 2008-05-22 WO disclosed
US-5475017-A Skin disorders, antitumor agents; side effect reduction BASF AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
US-5206242-A Skin disorders BASF AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed
US-5196532-A Treatment of skin disorders BASF AKTIENGESELLSCHAFT (DE) 1993-03-23 US disclosed
US-5061705-A Skin disorders BASF AKTIENGESELLSCHAFT (DE) 1991-10-29 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-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT CNR2, CNR1, TRPV1 RARB 1659/4885RARG 1808/4885RARA 1438/4885
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, S1PR3, SPHK2 RARB 4278/4885RARG 2466/4885RARA 4508/4885

“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.