SCHEMBL27220771

SCHEMBL27220771

CCS(=O)(=O)Nc1cccc(CC(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.51
ADRA1A P35348 1/20 0.51
HPGD P15428 4/20 0.49
PARP1 P09874 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
FABP4 P15090 1/20 0.43
AURKA O14965 1/20 0.43
KDR P35968 1/20 0.43
AURKB Q96GD4 1/20 0.43
NAMPT P43490 1/20 0.42

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
SCHEMBL10750303 0.85 PTPN1 (0.52) ADRA2AADRA1AHPGDPARP1ALDH1A1
SCHEMBL398544 0.82 ADRA2A (0.47) ADRA2AADRA1AHPGDPARP1ALDH1A1
SCHEMBL11509515 0.82 HTT (0.62) HPGDPARP1ALDH1A1NPC1SMN1; SMN2
SCHEMBL8458647 0.82 ADRA2A (0.57) ADRA2AADRA1AHPGDPARP1LMNA
SCHEMBL28182428 0.81 HTR6 (0.65) HPGDALDH1A1FABP4
SCHEMBL10131967 0.78 NEK2 (0.43) HPGDLMNASMN1; SMN2HTT
SCHEMBL1879618 0.78 ALDH1A1 (0.71) HPGDALDH1A1LMNASMN1; SMN2HTT
SCHEMBL29280776 0.77 ADRA2A (0.50) ADRA2AADRA1AHPGDPARP1LMNA
SCHEMBL10391003 0.77 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2
SCHEMBL3554342 0.77 LMNA (0.51) ADRA2AADRA1AHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-06-27 US disclosed
EP-4371977-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-05-22 EP disclosed
CN-117813288-A Arylamino derivative estrogen receptor modulator and use thereof 西藏海思科制药有限公司 2024-04-02 CN disclosed
WO-2023284837-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF 四川海思科制药有限公司 2023-01-19 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 (1 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-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF GPER1, ESR1, ESRRA ADRA2A 168/4885ADRA1A 112/4885HPGD 298/4885

“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.