SCHEMBL2597839

SCHEMBL2597839

O=C(O)C1(CO)CCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.45
HCAR2 Q8TDS4 1/20 0.43
TACR1 P25103 2/20 0.40
TACR3 P29371 2/20 0.40
TSHR P16473 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
AKR1C1 Q04828 1/20 0.38
KIF11 P52732 1/20 0.38

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
SCHEMBL29609212 1.00 HDAC9 (0.45) HDAC9HCAR2TACR1TACR3TSHR
SCHEMBL2599391 0.90 AKR1C1 (0.43) HDAC9TSHRSIGMAR1TP53CYP1A2
SCHEMBL29609235 0.90 AKR1C1 (0.43) HDAC9TSHRSIGMAR1TP53CYP1A2
SCHEMBL6751391 0.85 HDAC9 (0.44) HDAC9HCAR2TACR1TACR3TSHR
SCHEMBL16116728 0.85 HDAC9 (0.44) HDAC9HCAR2TACR1TACR3TSHR
SCHEMBL1153942 0.83 TACR3 (0.53) HDAC9HCAR2TACR1TACR3TSHR
SCHEMBL16075939 0.81 TACR3 (0.44) HDAC9HCAR2TACR1TACR3KIF11
SCHEMBL28940851 0.79 MMP8 (0.49) HDAC9TACR1TACR3TSHR
SCHEMBL21777572 0.79 KDM1A (0.43) TACR1TACR3KDM1A
SCHEMBL18088634 0.79 HDAC9 (0.40) HDAC9HCAR2TACR1TACR3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2024-01-25 US disclosed
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2024-01-25 US disclosed
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-09-21 US disclosed
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-09-21 US disclosed
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-09-21 US disclosed
WO-2022109741-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2022-06-02 WO disclosed
CN-114539340-A CD73 inhibitor and pharmaceutical application thereof 润佳(苏州)医药科技有限公司 2022-05-27 CN disclosed
WO-2020151707-A1 NOVEL SMALL MOLECULE CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 2020-07-30 WO disclosed
EP-2571860-A1 2-PHENYL BENZOYLAMIDES Pfizer Inc (US) 2013-03-27 EP disclosed
US-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 US disclosed
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 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 (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-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF ENTPD5, NT5E, ENTPD1 HDAC9 1617/4885HCAR2 1403/4885TACR1 2063/4885
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF ENTPD5, NT5E, ENTPD1 HDAC9 1617/4885HCAR2 1403/4885TACR1 2063/4885
US-20130072519-A1 2-PHENYL BENZOYLAMIDES APOB, MTTP, HADHB HDAC9 2334/4885HCAR2 2123/4885TACR1 4300/4885

“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.