SCHEMBL17855987

SCHEMBL17855987

CC(C)(C)c1ccc(N2CCN(C(=O)CCC(=O)O)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
HSD17B10 Q99714 3/20 0.60
HPGD P15428 2/20 0.60
GFER P55789 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 4/20 0.54
KDM4E B2RXH2 3/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ME2 P23368 2/20 0.52
ME1 P48163 2/20 0.52
ME3 Q16798 2/20 0.52
HTT P42858 1/20 0.52
MAPK1 P28482 2/20 0.51
NPC1 O15118 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
USP2 O75604 3/20 0.51
TP53 P04637 1/20 0.51
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50

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
SCHEMBL9987696 0.86 ALDH1A1 (0.58) ALDH1A1HSD17B10GFERMAPTKDM4E
SCHEMBL3796852 0.84 ME2 (0.72) ALDH1A1GFERSMN1; SMN2MAPTLMNA
SCHEMBL762466 0.84 MAPT (0.58) ALDH1A1HSD17B10GFERMAPTKDM4E
SCHEMBL17859454 0.84 ALDH1A1 (0.64) ALDH1A1HSD17B10HPGDGFERSMN1; SMN2
SCHEMBL946765 0.82 ALDH1A1 (0.57) ALDH1A1HSD17B10GFERSMN1; SMN2MAPT
SCHEMBL27786793 0.82 MAPT (0.78) ALDH1A1HSD17B10HPGDSMN1; SMN2MAPT
SCHEMBL12041659 0.81 HTR1A (0.51) ALDH1A1HSD17B10SMN1; SMN2MAPTKDM4E
SCHEMBL10015690 0.81 ALDH1A1 (0.86) ALDH1A1HSD17B10HPGDGFERSMN1; SMN2
SCHEMBL381875 0.80 HTR1A (0.50) ALDH1A1HSD17B10SMN1; SMN2MAPTKDM4E
SCHEMBL11916169 0.80 MAPT (0.54) ALDH1A1HSD17B10HPGDGFERSMN1; SMN2

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-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-07-10 US disclosed
US-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-07-10 US disclosed
US-20180155297-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-06-07 US disclosed
US-20180155297-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-06-07 US disclosed
US-9850216-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-12-26 US disclosed
US-9850216-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-12-26 US disclosed
US-20160176826-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-23 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 (3 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-20160176826-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 ALDH1A1 3704/4885HSD17B10 1899/4885HPGD 2051/4885
US-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase TNK1, TNNI3K, TNK2 ALDH1A1 3704/4885HSD17B10 1899/4885HPGD 2051/4885
US-20180155297-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 ALDH1A1 3704/4885HSD17B10 1899/4885HPGD 2051/4885

“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.