SCHEMBL19511998

SCHEMBL19511998

CCCCc1ccc(-c2ccc(C(=O)O)c(NC(=O)Cc3ccc(Cl)c(Cl)c3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.56
▸ AKR1C2 P52895 1/20 0.53
▸ AKR1C1 Q04828 1/20 0.53
▸ RARB P10826 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ RARA P10276 1/20 0.49
▸ RARG P13631 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KCNK2 O95069 1/20 0.47
▸ HCAR2 Q8TDS4 2/20 0.47
▸ PLK1 P53350 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ PLK3 Q9H4B4 1/20 0.46
▸ EIF4A1 P60842 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL19512000 0.92 AKR1C2 (0.56) ACLYAKR1C2AKR1C1RARBKDM4E
SCHEMBL19511947 0.91 HCAR2 (0.56) ACLYAKR1C2AKR1C1RARBKDM4E
SCHEMBL19512104 0.90 LMNA (0.50) ACLYAKR1C2AKR1C1RARBKDM4E
SCHEMBL19512123 0.89 KDM4E (0.49) ACLYAKR1C2AKR1C1KDM4EALDH1A1
SCHEMBL19512125 0.87 ACLY (0.74) ACLYKDM4EMEN1KMT2AHCAR2
SCHEMBL22022893 0.86 MEN1 (0.65) ACLYAKR1C2AKR1C1RARBKDM4E
SCHEMBL22022913 0.85 ACLY (0.59) ACLYAKR1C2AKR1C1RARBKDM4E
SCHEMBL19512020 0.83 AKR1C2 (0.46) AKR1C2AKR1C1KDM4EALDH1A1MEN1
SCHEMBL22079872 0.83 AKR1C2 (0.44) ACLYAKR1C2AKR1C1RARBKDM4E
SCHEMBL19512005 0.83 KDM4E (0.57) AKR1C2AKR1C1KDM4EALDH1A1PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220054438-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2022-02-24 — — US claimed
EP-3890734-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2021-10-13 — — EP claimed
WO-2020115019-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2020-06-11 — — WO claimed
EP-3662908-A1 MODULATING COMPOUNDS OF KCHIP2 AND ITS USE FOR THE TREATMENT OF CARDIOVASCULAR PATHOLOGIES Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2020-06-10 — — EP claimed
EP-3239133-B1 DREAM NEURONAL CALCIUM SENSOR-MODULATING COMPOUNDS, AND THERAPEUTIC USES THEREOF CONSEJO SUPERIOR INVESTIGACION (ES) 2020-04-01 — — EP claimed
US-20180037538-A1 DREAM NEURONAL CALCIUM SENSOR-MODULATING COMPOUNDS, AND THERAPEUTIC USES THEREOF CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2018-02-08 — — US claimed
EP-3239133-A1 DREAM NEURONAL CALCIUM SENSOR-MODULATING COMPOUNDS, AND THERAPEUTIC USES THEREOF Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2017-11-01 — — EP claimed
US-20220054438-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2022-02-24 — — US disclosed
US-20220054438-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2022-02-24 — — US disclosed
EP-3890734-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2021-10-13 — — EP disclosed
WO-2020115019-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2020-06-11 — — WO disclosed
EP-3662908-A1 MODULATING COMPOUNDS OF KCHIP2 AND ITS USE FOR THE TREATMENT OF CARDIOVASCULAR PATHOLOGIES Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2020-06-10 — — EP disclosed
EP-3662908-A1 MODULATING COMPOUNDS OF KCHIP2 AND ITS USE FOR THE TREATMENT OF CARDIOVASCULAR PATHOLOGIES Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2020-06-10 — — EP disclosed
EP-3239133-B1 DREAM NEURONAL CALCIUM SENSOR-MODULATING COMPOUNDS, AND THERAPEUTIC USES THEREOF CONSEJO SUPERIOR INVESTIGACION (ES) 2020-04-01 — — EP disclosed
US-20180037538-A1 DREAM NEURONAL CALCIUM SENSOR-MODULATING COMPOUNDS, AND THERAPEUTIC USES THEREOF CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2018-02-08 — — US disclosed
EP-3239133-A1 DREAM NEURONAL CALCIUM SENSOR-MODULATING COMPOUNDS, AND THERAPEUTIC USES THEREOF Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2017-11-01 — — EP 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-20220054438-A1 KCHIP2 MODULATOR COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES KCNK2, KCNT2, KCNT1 ACLY 3559/4885AKR1C2 154/4885AKR1C1 255/4885
US-20180037538-A1 DREAM NEURONAL CALCIUM SENSOR-MODULATING COMPOUNDS, AND THERAPEUTIC USES THEREOF NCS1, CACNA1B, ORAI1 ACLY 3999/4885AKR1C2 4468/4885AKR1C1 4480/4885

“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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