SCHEMBL22104750

SCHEMBL22104750

Cc1ccc(C#N)cc1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.51
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ AR P10275 1/20 0.46
▸ FFAR1 O14842 2/20 0.46
▸ SRD5A2 P31213 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.43
▸ TAS2R14 Q9NYV8 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ P2RY14 Q15391 1/20 0.41
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.40
▸ UBA2 Q9UBT2 1/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM5A P29375 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL11143781 0.77 SRD5A2 (0.60) RXRAMRGPRX4SRD5A2TSHRNR1H4
SCHEMBL27561164 0.76 ALDH1A1 (0.59) RXRAMRGPRX4SRD5A2TSHRNR1H4
SCHEMBL20844692 0.75 FFAR1 (0.49) RXRAMRGPRX4FFAR1RXRBRXRG
SCHEMBL6493687 0.75 TSHR (0.56) RXRAMRGPRX4SRD5A2TSHRTAS2R14
SCHEMBL27986872 0.75 TSHR (0.69) RXRAFFAR1SRD5A2TSHRTAS2R14
SCHEMBL27555758 0.75 FFAR1 (0.49) RXRAMRGPRX4FFAR1SRD5A2TAS2R14
SCHEMBL2039607 0.75 SLC22A12 (0.53) RXRAMRGPRX4ARRXRBKDM4C
SCHEMBL21386312 0.74 SAE1 (0.54) TSHRALDH1A1SAE1UBA2MEN1
SCHEMBL23349027 0.73 FFAR1 (0.43) MRGPRX4FFAR1ALDH1A1MEN1KMT2A
SCHEMBL11297291 0.73 TAS2R14 (0.55) ARFFAR1TAS2R14ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339147-B2 Lactam compound as FXR receptor agonist CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2022-05-24 — — US disclosed
US-20200190074-A1 LACTAM COMPOUND AS FXR RECEPTOR AGONIST MEDSHINE DISCOVERY INC. (CN) 2020-06-18 — — US 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-11339147-B2 Lactam compound as FXR receptor agonist NR1H4, GPBAR1, SLC10A1 RXRA 389/4885MRGPRX4 265/4885AR 805/4885
US-20200190074-A1 LACTAM COMPOUND AS FXR RECEPTOR AGONIST NR1H4, GPBAR1, SLC10A1 RXRA 389/4885MRGPRX4 265/4885AR 805/4885

“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.

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