SCHEMBL22118319

SCHEMBL22118319

C=CC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.54
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ATM Q13315 2/20 0.50
TGM2 P21980 1/20 0.50
MBOAT4 Q96T53 1/20 0.49
HTT P42858 1/20 0.49
CTSK P43235 2/20 0.48
TACR1 P25103 2/20 0.48

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
SCHEMBL14769904 1.00 CTRB1 (0.54) CTRB1LMNASMN1; SMN2ATMTGM2
SCHEMBL7372388 0.91 CTRB1 (0.54) CTRB1LMNASMN1; SMN2ATMTGM2
SCHEMBL8173806 0.91 CTRB1 (0.54) CTRB1LMNASMN1; SMN2ATMTGM2
SCHEMBL930561 0.88 MBOAT4 (0.58) CTRB1LMNASMN1; SMN2ATMMBOAT4
SCHEMBL22747610 0.88 MBOAT4 (0.58) CTRB1LMNASMN1; SMN2ATMMBOAT4
SCHEMBL17280899 0.88 ALDH1A1 (0.53) CTRB1LMNASMN1; SMN2ATMMBOAT4
SCHEMBL930559 0.88 MBOAT4 (0.58) CTRB1LMNASMN1; SMN2ATMMBOAT4
SCHEMBL3930093 0.86 CTRB1 (0.55) CTRB1LMNASMN1; SMN2ATMHTT
SCHEMBL3930095 0.86 CTRB1 (0.55) CTRB1LMNASMN1; SMN2ATMHTT
SCHEMBL8232784 0.86 MBOAT4 (0.51) CTRB1LMNASMN1; SMN2ATMMBOAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043629-B2 RIP1K inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2024-07-23 US disclosed
WO-2023194895-A1 PYRROL DERIVATIVES AS INHIBITORS OF APOLIPOPROTEIN L-1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-12 WO disclosed
US-20230227469-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. 2023-07-20 US disclosed
CN-115867548-A RIP1K inhibitors 里格尔药品股份有限公司 2023-03-28 CN disclosed
US-11584758-B2 RIP1K inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2023-02-21 US disclosed
EP-4126864-A1 RIP1K INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2023-02-08 EP disclosed
EP-3897833-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmaceuticals Incorporated (US) 2021-10-27 EP disclosed
US-20210317135-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-10-14 US disclosed
WO-2021203011-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 WO disclosed
WO-2020131807-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-06-25 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-11584758-B2 RIP1K inhibitors RIPK1, RIPK2, RIPK3 CTRB1 2891/4885LMNA 2114/4885SMN1; SMN2 1932/4885
US-12043629-B2 RIP1K inhibitors RIPK1, RIPK2, RIPK3 CTRB1 2891/4885LMNA 2114/4885SMN1; SMN2 1932/4885
US-20210317135-A1 RIP1K INHIBITORS RIPK1, RIPK2, RIPK3 CTRB1 2891/4885LMNA 2114/4885SMN1; SMN2 1932/4885
US-20230227469-A1 RIP1K INHIBITORS RIPK1, RIPK2, RIPK3 CTRB1 2891/4885LMNA 2114/4885SMN1; SMN2 1932/4885

“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.