SCHEMBL12492132

SCHEMBL12492132

COC(=O)c1cccc(F)c1OC(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 6/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HSD17B10 Q99714 2/20 0.42
CFTR P13569 1/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.41
ATM Q13315 1/20 0.41
GLA P06280 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL1438636 0.84 ALDH1A1 (0.59) ALDH1A1KMT2ATSHRLMNAHSD17B10
SCHEMBL12569625 0.84 NR4A2 (0.44) ALDH1A1KMT2ATSHRLMNASLC6A4
SCHEMBL5444249 0.83 TSHR (0.48) ALDH1A1KMT2ATSHRLMNASLC6A4
SCHEMBL4553620 0.83 ALDH1A1 (0.50) ALDH1A1KMT2ATSHRLMNASLC6A4
SCHEMBL1438500 0.83 TSHR (0.42) ALDH1A1KMT2ATSHRLMNASLC6A4
SCHEMBL12492897 0.81 ALB (0.52) ALDH1A1KMT2AHSD17B10KDM4EHPGD
SCHEMBL12545932 0.81 KDM4E (0.45) ALDH1A1KMT2ATSHRLMNAHSD17B10
SCHEMBL8044966 0.81 CES2 (0.43) ALDH1A1KMT2ATSHRLMNASLC6A4
SCHEMBL23834656 0.80 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRLMNAHSD17B10
SCHEMBL1945795 0.78 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4085056-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER Berg LLC (US) 2022-11-09 EP disclosed
CN-115210229-A Polycyclic amides as UBE2K modulators for the treatment of cancer 博格有限责任公司 2022-10-18 CN disclosed
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 US disclosed
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 US disclosed
US-11091447-B2 UBE2K modulators and methods for their use BERG LLC (US) 2021-08-17 US disclosed
US-11091447-B2 UBE2K modulators and methods for their use BERG LLC (US) 2021-08-17 US disclosed
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2021-07-15 US disclosed
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2021-07-15 US disclosed
WO-2021138540-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER BERG LLC (US) 2021-07-08 WO disclosed
WO-2021138540-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER BERG LLC (US) 2021-07-08 WO disclosed
EP-2686325-B1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-12-14 EP disclosed
US-9181273-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-10 US disclosed
US-20150025073-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-01-22 US disclosed
US-8828996-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-09 US disclosed
EP-2686325-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2014-01-22 EP disclosed
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-10-18 US disclosed
WO-2012125613-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 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 (5 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-11091447-B2 UBE2K modulators and methods for their use UBE2N, UBE2B, UBE2E1 ALDH1A1 1803/4885KMT2A 1523/4885TSHR 4538/4885
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 ALDH1A1 1803/4885KMT2A 1523/4885TSHR 4538/4885
US-20210214320-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 ALDH1A1 1803/4885KMT2A 1523/4885TSHR 4538/4885
US-20150025073-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 ALDH1A1 1738/4885KMT2A 1876/4885TSHR 2248/4885
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 ALDH1A1 1738/4885KMT2A 1876/4885TSHR 2248/4885

“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.