SCHEMBL21874049

SCHEMBL21874049

COC(=O)c1ccc(C2(C(=O)O)CCC(F)(F)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MAPT P10636 5/20 0.44
RAB9A P51151 3/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
AKR1C1 Q04828 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PKM P14618 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
SCHEMBL20703721 0.86 AKR1C1 (0.53) TSHRMAPTRAB9ACASP3SENP8
SCHEMBL4804774 0.84 AKR1C1 (0.56) TSHRMAPTRAB9AL3MBTL1CA1
SCHEMBL21874028 0.82 CA1 (0.38) TSHRMAPTRAB9ACASP3SENP8
SCHEMBL25330988 0.81 PKM (0.47) TSHRMAPTRAB9ACA1CA2
SCHEMBL21874196 0.81 KMT2A (0.57) TSHRMAPTCA1CA2AKR1C1
SCHEMBL21961636 0.80 TSHR (0.40) TSHRMAPTCA1CA2TDP1
SCHEMBL21874150 0.80 LMNA (0.44) MAPTRAB9ACA1CA2TDP1
SCHEMBL21101816 0.77 APP (0.55) TSHRAKR1C1KMT2AMEN1TET3
SCHEMBL24076449 0.77 CA1 (0.52) TSHRMAPTRAB9ACASP3SENP8
SCHEMBL21964252 0.75 AKR1C1 (0.43) TSHRAKR1C1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11274100-B2 EP300/CREBBP inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-03-15 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP 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-11274100-B2 EP300/CREBBP inhibitor EP300, CREBBP, CREB1 TSHR 2614/4885MAPT 2371/4885RAB9A 3482/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 TSHR 2614/4885MAPT 2371/4885RAB9A 3482/4885

“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.