SCHEMBL1401459

SCHEMBL1401459

O=C(O)c1cccc(CO)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.49
ALB P02768 1/20 0.47
HMGB1 P09429 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
FOLH1 Q04609 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAPRT Q6XQN6 1/20 0.41
CLCN2 P51788 1/20 0.41
CES2 O00748 1/20 0.41
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL27705072 0.85 PTPN1 (0.49) MRGPRX4ALBHMGB1ALDH1A1ALOX15
SCHEMBL17294845 0.84 MRGPRX4 (0.49) MRGPRX4ALBHMGB1ALDH1A1ALOX15
SCHEMBL4238088 0.84 KAT6A (0.54) MRGPRX4ALBHMGB1ALDH1A1ALOX15
SCHEMBL1646172 0.82 MRGPRX4 (0.48) MRGPRX4ALBHMGB1ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL3416101 0.82 HMGB1 (0.51) MRGPRX4ALBHMGB1ALDH1A1ALOX15
SCHEMBL2611568 0.82 NPC1 (0.41) MRGPRX4ALDH1A1LMNAGAAHPGD
SCHEMBL2886555 0.82 PARP1 (0.44) ALDH1A1ALOX15LMNAGAAHPGD
SCHEMBL542766 0.82 KDM4E (0.41) MRGPRX4ALBHMGB1ALDH1A1ALOX15
SCHEMBL336107 0.80 ALDH1A1 (0.60) ALBHMGB1ALDH1A1ALOX15NR4A1
SCHEMBL16720596 0.80 FFAR1 (0.48) MRGPRX4ALBHMGB1ALDH1A1ALOX15

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
EP-2452931-B1 METHOD FOR PREPARING TRICYCLIC DERIVATIVES JE IL PHARMACEUTICAL CO LTD (KR) 2017-05-17 EP disclosed
EP-2452931-B1 METHOD FOR PREPARING TRICYCLIC DERIVATIVES JE IL PHARMACEUTICAL CO LTD (KR) 2017-05-17 EP disclosed
US-20120101296-A1 METHOD FOR PREPARING TRICYCLIC DERIVATIVES JE IL PHARMACEUTICAL CO., LTD. (KR) 2012-04-26 US disclosed
EP-1646608-B1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO LTD (KR) 2011-03-02 EP disclosed
CN-100393698-C Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparation and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO LTD (KR) 2008-06-11 CN disclosed
US-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-08-02 US disclosed
US-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-08-02 US disclosed
US-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-08-02 US disclosed
EP-1646608-A4 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO LTD (KR) 2006-11-22 EP disclosed
CN-1826316-A Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparation and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO LTD (KR) 2006-08-30 CN disclosed
EP-1646608-A1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL Pharmaceutical Co., Ltd. (KR) 2006-04-19 EP disclosed
WO-2004113281-A1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO., LTD. (KR) 2004-12-29 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 (4 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-20070179143-A1 Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them VEGFA, TUBB3, TUBA3C MRGPRX4 3953/4885ALB 1192/4885HMGB1 3389/4885
US-20120101296-A1 METHOD FOR PREPARING TRICYCLIC DERIVATIVES NISCH, CA3, CYP51A1 MRGPRX4 2529/4885ALB 3224/4885HMGB1 3678/4885
US-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 MRGPRX4 2002/4885ALB 4605/4885HMGB1 339/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 MRGPRX4 2002/4885ALB 4605/4885HMGB1 339/4885

“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.