SCHEMBL17605239

SCHEMBL17605239

NC1(C(=O)O)CC(F)(F)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.46
GRM4 Q14833 7/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2C19 P33261 3/20 0.42
ALOX15 P16050 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GRM8 O00222 2/20 0.42
GRM6 O15303 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GRM2 Q14416 4/20 0.37
GRM3 Q14832 4/20 0.37
LMNA P02545 1/20 0.37
GRM5 P41594 1/20 0.37
MTOR P42345 1/20 0.37
GRM1 Q13255 1/20 0.37

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
SCHEMBL19900756 0.78 PKM (0.33)
Hydrochloric Acid SCHEMBL19900762 0.76 PKM (0.32)
SCHEMBL26747654 0.76 SLC1A2 (0.31) GRM4CYP1A2CYP2C19ALOX15ALDH1A1
SCHEMBL12479486 0.76 NSD2 (0.50) NSD2GRM4CYP1A2CYP2C19ALOX15
SCHEMBL28344677 0.74 NSD2 (0.48) NSD2GRM4CYP1A2CYP2C19ALOX15
SCHEMBL25660654 0.72 NSD2 (0.46) NSD2GRM4CYP1A2CYP2C19ALOX15
SCHEMBL25660646 0.72 NSD2 (0.46) NSD2GRM4CYP1A2CYP2C19ALOX15
SCHEMBL14690934 0.71 FFAR3 (0.30)
SCHEMBL22647547 0.70 NPSR1 (0.33) MEN1KMT2ALMNA
SCHEMBL17617088 0.70 TACR1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338203-B2 Urea compound for antagonizing LPA1 receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2025-06-24 US disclosed
CN-119823001-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-15 CN disclosed
CN-114206832-B Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-04 CN disclosed
US-12161625-B2 Substituted pyrrolizine compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-12-10 US disclosed
US-12116356-B2 N-heterocyclic five-membered ring-containing capsid protein assembly inhibitor, pharmaceutical composition thereof, and use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-10-15 US disclosed
US-11814444-B2 Cyclic polypeptides for PCSK9 inhibition RA PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-11814444-B2 Cyclic polypeptides for PCSK9 inhibition RA PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
EP-3922634-B1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES INC (US) 2023-10-25 EP disclosed
EP-3922634-B1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES INC (US) 2023-10-25 EP disclosed
US-20230270719-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-08-31 US disclosed
CN-109790168-A SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF 吉利德科学公司 2019-05-21 CN disclosed
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20180161307-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2018-06-14 US disclosed
US-20180161307-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2018-06-14 US disclosed
US-20180161307-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2018-06-14 US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
WO-2018039531-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2018-03-01 WO disclosed
WO-2018039531-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2018-03-01 WO disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 US disclosed
WO-2016044770-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 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 (9 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-12338203-B2 Urea compound for antagonizing LPA1 receptor LPAR1, LPAR2, LPAR3 NSD2 2286/4885GRM4 2076/4885CYP1A2 4117/4885
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 NSD2 1541/4885GRM4 4159/4885CYP1A2 2348/4885
US-12161625-B2 Substituted pyrrolizine compounds and uses thereof HMBS, DHFR, HCCS NSD2 1154/4885GRM4 2194/4885CYP1A2 1075/4885
US-20230270719-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF HMBS, DHFR, HCCS NSD2 1154/4885GRM4 2194/4885CYP1A2 1075/4885
US-12116356-B2 N-heterocyclic five-membered ring-containing capsid protein assembly inhibitor, pharmaceutical composition thereof, and use thereof COG5, HAVCR2, ZC3HAV1 NSD2 2260/4885GRM4 4715/4885CYP1A2 520/4885
US-11814444-B2 Cyclic polypeptides for PCSK9 inhibition PCSK9, LDLR, PCSK7 NSD2 4040/4885GRM4 4326/4885CYP1A2 4606/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A NSD2 1462/4885GRM4 4174/4885CYP1A2 1953/4885
US-20180161307-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF HMBS, DHFR, HCCS NSD2 1154/4885GRM4 2194/4885CYP1A2 1075/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 NSD2 1541/4885GRM4 4159/4885CYP1A2 2348/4885

“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.